(1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0523 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1CC(C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.422 |
| logD: | 2.422 |
| logSw: | -2.629 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.36 |
| InChI Key: | DCZCRXFBJITGCA-HNNXBMFYSA-N |