ethyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C700-1657 |
| Compound Name: | ethyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C20 H19 Cl F N3 O2 S2 |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2[nH]1)NC(Nc1ccc(c(c1)[Cl])F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5989 |
| logD: | 5.5263 |
| logSw: | -5.9296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 49.849 |
| InChI Key: | XLIQKTDRIDILON-UHFFFAOYSA-N |