ethyl 2-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1261 |
| Compound Name: | ethyl 2-[(6-chloro-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C20 H16 Cl N O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1c(C(=O)OCC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5676 |
| logD: | 0.5802 |
| logSw: | -4.96 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.983 |
| InChI Key: | PLLBDCRAKKWJPI-UHFFFAOYSA-N |