[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethoxyphenyl)methanone
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | SB36-0594 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](2,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C21 H25 F2 N5 O4 |
| Smiles: | COc1ccc(C(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)c(c1)OC |
| Stereo: | ABSOLUTE |
| logP: | 1.8324 |
| logD: | 1.8324 |
| logSw: | -2.4654 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.534 |
| InChI Key: | FSLGJQCHCSCJRM-CQSZACIVSA-N |