N-{[rel-(3R,4S)-1-(3-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N'-methylurea
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-(3-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N'-methylurea
N-{[rel-(3R,4S)-1-(3-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N'-methylurea
Compound characteristics
| Compound ID: | S618-2016 |
| Compound Name: | N-{[rel-(3R,4S)-1-(3-cyanobenzene-1-sulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N'-methylurea |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C17 H25 N5 O3 S |
| Smiles: | CNC(NC[C@H]1CCN(C[C@H]1N(C)C)S(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1438 |
| logD: | -0.0857 |
| logSw: | -2.3245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.219 |
| InChI Key: | UZERQHOVZQJQFW-ZBFHGGJFSA-N |