ethyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1072 |
| Compound Name: | ethyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C1=Cc2ccccc2C(=O)O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6368 |
| logD: | 0.6701 |
| logSw: | -4.574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.536 |
| InChI Key: | XTQXUESGFBGXQG-UHFFFAOYSA-N |