ethyl 2-{[(3-chlorobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-chlorobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[(3-chlorobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3237-1308 |
| Compound Name: | ethyl 2-{[(3-chlorobenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 408.92 |
| Molecular Formula: | C18 H17 Cl N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(NC(c1cccc(c1)[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8391 |
| logD: | 3.0052 |
| logSw: | -4.9719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.074 |
| InChI Key: | OHCHJFVRZRIBOQ-UHFFFAOYSA-N |