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2-(furan-3-amido)-N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

ChemBase ID: 340285
Molecular Formular: C23H23N3O7S
Molecular Mass: 485.50962
Monoisotopic Mass: 485.12567109
SMILES and InChIs

SMILES:
c12c(nc(s1)NC(=O)c1cocc1)CC(C(=O)NCC(COc1cc(OC)ccc1)O)CC2=O
Canonical SMILES:
COc1cccc(c1)OCC(CNC(=O)C1CC(=O)c2c(C1)nc(s2)NC(=O)c1cocc1)O
InChI:
InChI=1S/C23H23N3O7S/c1-31-16-3-2-4-17(9-16)33-12-15(27)10-24-21(29)14-7-18-20(19(28)8-14)34-23(25-18)26-22(30)13-5-6-32-11-13/h2-6,9,11,14-15,27H,7-8,10,12H2,1H3,(H,24,29)(H,25,26,30)
InChIKey:
LRRFDRSAVXPLKF-UHFFFAOYSA-N

Cite this record

CBID:340285 http://www.chembase.cn/molecule-340285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-3-amido)-N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
IUPAC Traditional name
2-(furan-3-amido)-N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
Synonyms
2-(3-furoylamino)-N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13851740 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.167723  H Acceptors
H Donor LogD (pH = 5.5) 1.3581656 
LogD (pH = 7.4) 1.3574706  Log P 1.3581746 
Molar Refractivity 122.3523 cm3 Polarizability 46.465107 Å3
Polar Surface Area 139.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.56  LOG S -3.81 
Polar Surface Area 139.99 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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