4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-0002 |
| Compound Name: | 4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C25 H31 F N2 O4 |
| Smiles: | CC(C)CC(N1CC(C(C1)c1cccc(c1OC)OC)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3418 |
| logD: | 3.3418 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.353 |
| InChI Key: | LKUMHUIHKRHRLC-UHFFFAOYSA-N |