methyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1487 |
| Compound Name: | methyl 2-[(6-ethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(CC)ccc2O1)=O)=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.453 |
| logD: | 0.4656 |
| logSw: | -4.5453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.403 |
| InChI Key: | JRNRHBOOJVOQEP-UHFFFAOYSA-N |