1-{(2S)-4,4-difluoro-1-[1-(2,4,6-trimethylbenzene-1-sulfonyl)piperidin-4-yl]pyrrolidin-2-yl}-N,N-dimethylmethanamine
Chemical Structure Depiction of
1-{(2S)-4,4-difluoro-1-[1-(2,4,6-trimethylbenzene-1-sulfonyl)piperidin-4-yl]pyrrolidin-2-yl}-N,N-dimethylmethanamine
1-{(2S)-4,4-difluoro-1-[1-(2,4,6-trimethylbenzene-1-sulfonyl)piperidin-4-yl]pyrrolidin-2-yl}-N,N-dimethylmethanamine
Compound characteristics
| Compound ID: | CM4575-0684 |
| Compound Name: | 1-{(2S)-4,4-difluoro-1-[1-(2,4,6-trimethylbenzene-1-sulfonyl)piperidin-4-yl]pyrrolidin-2-yl}-N,N-dimethylmethanamine |
| Molecular Weight: | 429.57 |
| Molecular Formula: | C21 H33 F2 N3 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCC(CC1)N1CC(C[C@H]1CN(C)C)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.9603 |
| logD: | 3.9532 |
| logSw: | -3.9137 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 38.876 |
| InChI Key: | VADSYNSHCLICDG-IBGZPJMESA-N |