(1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-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-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-1012 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C21 H25 F2 N5 O3 |
| Smiles: | Cc1cc(ccc1C(N1CC(C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)(F)F)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.3216 |
| logD: | 2.3216 |
| logSw: | -2.8195 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.904 |
| InChI Key: | CRCHRFWJKURSIL-OAHLLOKOSA-N |