N-[rel-(3R,4S)-1-[(3-chlorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3-chlorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(3-chlorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1208 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3-chlorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C21 H22 Cl N5 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccc(c3)[Cl])C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7289 |
| logD: | 2.1375 |
| logSw: | -3.5546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.938 |
| InChI Key: | FCPYNCGHNLPMPG-RTBURBONSA-N |