1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0672 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C18 H23 F2 N7 O3 |
| Smiles: | Cc1ccn(CC(N2CC(C[C@H]2Cn2cc(C(N3CCOCC3)=O)nn2)(F)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.7982 |
| logD: | -0.7982 |
| logSw: | -1.0889 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.842 |
| InChI Key: | LVBMPGFMPHIWTR-CQSZACIVSA-N |