N-{[rel-(3R,4S)-3-(dimethylamino)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
Chemical Structure Depiction of
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
Compound characteristics
| Compound ID: | S618-1996 |
| Compound Name: | N-{[rel-(3R,4S)-3-(dimethylamino)-1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C17 H27 F N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CC[C@H](CNC(NC)=O)[C@@H](C1)N(C)C)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8999 |
| logD: | 0.6704 |
| logSw: | -2.4024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.163 |
| InChI Key: | HYCHKVIHBNVYJA-HIFRSBDPSA-N |