N-[1-{4-[(4-chlorophenyl)(phenyl)methyl]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-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(methylsulfanyl)-1-oxobutan-2-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-[1-{4-[(4-chlorophenyl)(phenyl)methyl]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: | K906-1849 |
| Compound Name: | N-[1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(methylsulfanyl)-1-oxobutan-2-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 629.2 |
| Molecular Formula: | C30 H33 Cl N4 O5 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6987 |
| logD: | 4.6974 |
| logSw: | -5.1707 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.188 |
| InChI Key: | VEGSHSOCKKQRTF-UHFFFAOYSA-N |