ethyl 4-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
ethyl 4-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C700-1658 |
| Compound Name: | ethyl 4-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate |
| Molecular Weight: | 425.93 |
| Molecular Formula: | C18 H17 Cl F N3 O2 S2 |
| Smiles: | CCOC(c1c(c2c(C)c(C)sc2[nH]1)NC(Nc1ccc(c(c1)[Cl])F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1413 |
| logD: | 5.0654 |
| logSw: | -5.6595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 49.928 |
| InChI Key: | KLADYBZWKLWANA-UHFFFAOYSA-N |