2-(azepan-1-yl)-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(azepan-1-yl)-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB35-0004 |
| Compound Name: | 2-(azepan-1-yl)-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C15 H23 F2 N5 O |
| Smiles: | Cc1nc([C@@H]2CC(CN2C(CN2CCCCCC2)=O)(F)F)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3166 |
| logD: | 1.2306 |
| logSw: | -1.5598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.086 |
| InChI Key: | JMCGEKWNFIXIJQ-GFCCVEGCSA-N |