N-[(3S,5S)-1-(1-acetylpiperidine-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1-acetylpiperidine-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(1-acetylpiperidine-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1009 |
| Compound Name: | N-[(3S,5S)-1-(1-acetylpiperidine-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6787 |
| logD: | 0.678 |
| logSw: | -1.5796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.612 |
| InChI Key: | YZWQXNSQOYIJQQ-RBUKOAKNSA-N |