N-[(3S,5S)-1-(6-methylpyridine-2-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(6-methylpyridine-2-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(6-methylpyridine-2-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0321 |
| Compound Name: | N-[(3S,5S)-1-(6-methylpyridine-2-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | Cc1cccc(C(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.5881 |
| logD: | 1.5874 |
| logSw: | -1.8785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.646 |
| InChI Key: | HSOBQBQAQUNKSY-AEFFLSMTSA-N |