ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1477 |
| Compound Name: | ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 564.12 |
| Molecular Formula: | C29 H26 Cl N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(NC(c1cc(c2ccc(cc2)[Cl])nc2ccccc12)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2118 |
| logD: | 5.9939 |
| logSw: | -6.4631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.099 |
| InChI Key: | YTZCLNYVSCNHQF-UHFFFAOYSA-N |