[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethylphenyl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethylphenyl)methanone
[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | SB36-1081 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](3,5-dimethylphenyl)methanone |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C21 H25 F2 N5 O3 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CC(C[C@H]1Cn1cc(C(N2CCOCC2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7495 |
| logD: | 1.7495 |
| logSw: | -1.8043 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.902 |
| InChI Key: | SUKLSLBRHDCMCD-QGZVFWFLSA-N |