ethyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1683-0669 |
| Compound Name: | ethyl 2-{[(4-nitrobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C18 H17 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(NC(c1ccc(cc1)[N+]([O-])=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.102 |
| logD: | 2.2681 |
| logSw: | -4.3249 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.456 |
| InChI Key: | LGDYHZGGDFTWSK-UHFFFAOYSA-N |