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 |