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N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

ChemBase ID: 341439
Molecular Formular: C24H26N4O5S
Molecular Mass: 482.55204
Monoisotopic Mass: 482.16239095
SMILES and InChIs

SMILES:
C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(Cc1cc2c(nsn2)cc1)C)c1c(OC)cccc1
Canonical SMILES:
COCCN1C(=O)CC(C1=O)(CC(=O)N(Cc1ccc2c(c1)nsn2)C)c1ccccc1OC
InChI:
InChI=1S/C24H26N4O5S/c1-27(15-16-8-9-18-19(12-16)26-34-25-18)21(29)13-24(17-6-4-5-7-20(17)33-3)14-22(30)28(23(24)31)10-11-32-2/h4-9,12H,10-11,13-15H2,1-3H3
InChIKey:
XRXUROIHRAKUKF-UHFFFAOYSA-N

Cite this record

CBID:341439 http://www.chembase.cn/molecule-341439.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
IUPAC Traditional name
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
Synonyms
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 18.50341  H Acceptors
H Donor LogD (pH = 5.5) 1.8912007 
LogD (pH = 7.4) 1.8912009  Log P 1.8912009 
Molar Refractivity 126.8323 cm3 Polarizability 49.646255 Å3
Polar Surface Area 101.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.16  LOG S -3.27 
Polar Surface Area 101.93 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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