[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-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-ethyl-3-methyl-1H-pyrazol-4-yl)methanone
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB36-0531 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C19 H25 F2 N7 O2 |
| Smiles: | CCn1cc(C(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6996 |
| logD: | 0.6996 |
| logSw: | -1.2672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.215 |
| InChI Key: | RGVDNAGLZRALHW-CQSZACIVSA-N |