N-(4-{rel-(3R,4S)-4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{rel-(3R,4S)-4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
N-(4-{rel-(3R,4S)-4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide
Compound characteristics
| Compound ID: | D470-2416 |
| Compound Name: | N-(4-{rel-(3R,4S)-4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl}phenyl)acetamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C23 H29 N3 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCN(CC1)c1cccc(C)c1)(=O)=O)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3581 |
| logD: | 1.358 |
| logSw: | -2.3494 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.45 |
| InChI Key: | RRMKDIBKPBYWCO-DHIUTWEWSA-N |