[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB36-0537 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C18 H23 F2 N7 O2 |
| Smiles: | Cc1cc(C(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.2879 |
| logD: | 0.2879 |
| logSw: | -0.8132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.682 |
| InChI Key: | BIXVIHXLBFGZEB-CYBMUJFWSA-N |