ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3002-0911 |
| Compound Name: | ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C20 H16 Br N O5 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3255 |
| logD: | -0.6378 |
| logSw: | -4.531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.086 |
| InChI Key: | BJPZVUNDZLPYSO-UHFFFAOYSA-N |