N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0333 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pentan-3-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C19 H27 N5 O |
| Smiles: | CCC(CC)N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7294 |
| logD: | 2.6074 |
| logSw: | -3.0095 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.801 |
| InChI Key: | JJNJSTSTCLDQHV-DOTOQJQBSA-N |