(1-{[(2S,4S)-4-fluoro-1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-4-fluoro-1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-4-fluoro-1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1206 |
| Compound Name: | (1-{[(2S,4S)-4-fluoro-1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C18 H26 F N7 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.3849 |
| logD: | -0.3849 |
| logSw: | -1.2196 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.039 |
| InChI Key: | CGOZHQCDMJDPAV-CABCVRRESA-N |