N-{[rel-(3R,4S)-3-(dimethylamino)-1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
Chemical Structure Depiction of
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea
Compound characteristics
| Compound ID: | S618-2002 |
| Compound Name: | N-{[rel-(3R,4S)-3-(dimethylamino)-1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]methyl}-N'-methylurea |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C18 H30 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CC[C@H](CNC(NC)=O)[C@@H](C1)N(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.263 |
| logD: | 1.0336 |
| logSw: | -2.3837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.163 |
| InChI Key: | VBNDQVFQDLBFKC-CVEARBPZSA-N |