methyl 2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D731-0172 |
| Compound Name: | methyl 2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C20 H19 N O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1Cc2ccccc2C(=O)O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6313 |
| logD: | 0.9079 |
| logSw: | -4.1443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.043 |
| InChI Key: | RZHQKEHUOJBXON-AWEZNQCLSA-N |