ethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | D429-0210 |
Compound Name: | ethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 489.59 |
Molecular Formula: | C28 H27 N O5 S |
Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc2C(=O)OC(Cc2c1)c1ccc(C)cc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1134 |
logD: | 1.8074 |
logSw: | -5.5549 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.351 |
InChI Key: | SJUUHSSAGVDNDS-JOCHJYFZSA-N |