N-butyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-butyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide
N-butyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-1105 |
| Compound Name: | N-butyl-4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 393.55 |
| Molecular Formula: | C20 H31 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCCNC(C1CN(CC1c1cccc(c1OC)OC)C(NCC)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9259 |
| logD: | 2.9259 |
| logSw: | -3.2508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.191 |
| InChI Key: | VRCCUWKAIOYKGI-UHFFFAOYSA-N |