N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | K906-1839 |
| Compound Name: | N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 539.07 |
| Molecular Formula: | C23 H27 Cl N4 O5 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0667 |
| logD: | 3.0661 |
| logSw: | -3.8008 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.886 |
| InChI Key: | DZUPRSTWYBCRJP-IBGZPJMESA-N |