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3-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-1-[2-(thiophen-2-yl)ethyl]urea

ChemBase ID: 370237
Molecular Formular: C19H23N3O2S
Molecular Mass: 357.46982
Monoisotopic Mass: 357.15109799
SMILES and InChIs

SMILES:
n1(c(cc2c1ccc(NC(=O)NCCc1sccc1)c2)C)CCOC
Canonical SMILES:
COCCn1c(C)cc2c1ccc(c2)NC(=O)NCCc1cccs1
InChI:
InChI=1S/C19H23N3O2S/c1-14-12-15-13-16(5-6-18(15)22(14)9-10-24-2)21-19(23)20-8-7-17-4-3-11-25-17/h3-6,11-13H,7-10H2,1-2H3,(H2,20,21,23)
InChIKey:
UMKZENLTJHIKFT-UHFFFAOYSA-N

Cite this record

CBID:370237 http://www.chembase.cn/molecule-370237.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-1-[2-(thiophen-2-yl)ethyl]urea
IUPAC Traditional name
3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-[2-(thiophen-2-yl)ethyl]urea
Synonyms
N-[1-(2-methoxyethyl)-2-methyl-1H-indol-5-yl]-N'-[2-(2-thienyl)ethyl]urea

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.351827  H Acceptors
H Donor LogD (pH = 5.5) 3.5021262 
LogD (pH = 7.4) 3.5021257  Log P 3.5021262 
Molar Refractivity 103.0387 cm3 Polarizability 39.524464 Å3
Polar Surface Area 55.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.62  LOG S -4.9 
Polar Surface Area 55.29 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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