4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-0003 |
| Compound Name: | 4-(2,3-dimethoxyphenyl)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C23 H28 F N3 O3 S |
| Salt: | not_available |
| Smiles: | CCNC(N1CC(C(C1)c1cccc(c1OC)OC)C(NCc1ccc(cc1)F)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9024 |
| logD: | 2.9024 |
| logSw: | -3.24 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.078 |
| InChI Key: | UMYKLVSDHDARCT-UHFFFAOYSA-N |