ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K788-7643 |
| Compound Name: | ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCC1c1ccc(c(c1)OC)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3626 |
| logD: | 4.3626 |
| logSw: | -4.2475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.94 |
| InChI Key: | XOWVHVMZZWQGBH-SFHVURJKSA-N |