N-{4-[rel-(3R,4S)-4-(4-benzylpiperazin-1-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-4-(4-benzylpiperazin-1-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-4-(4-benzylpiperazin-1-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D470-2397 |
| Compound Name: | N-{4-[rel-(3R,4S)-4-(4-benzylpiperazin-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)Cc1ccccc1)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5966 |
| logD: | 0.5761 |
| logSw: | -2.254 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.73 |
| InChI Key: | HOEGVPZNHJGRDB-DHIUTWEWSA-N |