ethyl 4-{[3-(4-methylphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-(4-methylphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
ethyl 4-{[3-(4-methylphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K788-7582 |
| Compound Name: | ethyl 4-{[3-(4-methylphenyl)pyrrolidine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(C1)c1ccc(C)cc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5118 |
| logD: | 5.5118 |
| logSw: | -5.3549 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.918 |
| InChI Key: | UWFUVEPEUIMWBN-GOSISDBHSA-N |