1-{4-[4-(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | G637-0547 |
| Compound Name: | 1-{4-[4-(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carbonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 576.72 |
| Molecular Formula: | C31 H36 N4 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C1CCN(CC1)S(c1c(C)noc1/C=C/c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8725 |
| logD: | 3.8725 |
| logSw: | -3.9217 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.2 |
| InChI Key: | OLDLRDSHJYMMDT-UHFFFAOYSA-N |