N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1063 |
| Compound Name: | N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CN2CCCCCC2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6109 |
| logD: | 1.2595 |
| logSw: | -2.1295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.032 |
| InChI Key: | SJICXDBFZXXTKS-RBUKOAKNSA-N |