N-[(3S,5S)-1-[(3-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(3-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0999 |
| Compound Name: | N-[(3S,5S)-1-[(3-chlorophenyl)methyl]-5-(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]2C[C@@H](CN2Cc2cccc(c2)[Cl])NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.054 |
| logD: | 3.0516 |
| logSw: | -3.6747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.474 |
| InChI Key: | ZIBUESRABMAEMF-MOPGFXCFSA-N |