methyl 2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7656-0904 |
| Compound Name: | methyl 2-[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C20 H19 N O5 S |
| Smiles: | Cc1ccc2CC(C(Nc3c(C(=O)OC)c4CCCc4s3)=O)OC(c2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6976 |
| logD: | 0.9536 |
| logSw: | -4.1777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.409 |
| InChI Key: | XCTBNJMDZXZUEX-AWEZNQCLSA-N |