(1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0547 |
| Compound Name: | (1-{[(2S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C17 H22 F2 N6 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CC(C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5655 |
| logD: | 0.5655 |
| logSw: | -1.481 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.238 |
| InChI Key: | VXKMULSCOWNXIL-ZDUSSCGKSA-N |