N-({(2S,6S)-4,6-dimethyl-5-oxo-1-[(pyridin-3-yl)methyl]piperazin-2-yl}methyl)-2-ethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-({(2S,6S)-4,6-dimethyl-5-oxo-1-[(pyridin-3-yl)methyl]piperazin-2-yl}methyl)-2-ethylbenzene-1-sulfonamide
N-({(2S,6S)-4,6-dimethyl-5-oxo-1-[(pyridin-3-yl)methyl]piperazin-2-yl}methyl)-2-ethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S925-0763 |
| Compound Name: | N-({(2S,6S)-4,6-dimethyl-5-oxo-1-[(pyridin-3-yl)methyl]piperazin-2-yl}methyl)-2-ethylbenzene-1-sulfonamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CCc1ccccc1S(NC[C@@H]1CN(C)C([C@H](C)N1Cc1cccnc1)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6369 |
| logD: | 1.6366 |
| logSw: | -2.1485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.334 |
| InChI Key: | ZHJBGCAXRLZXEA-QFBILLFUSA-N |