3-methyl-N-{1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
3-methyl-N-{1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
3-methyl-N-{1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | K906-1949 |
| Compound Name: | 3-methyl-N-{1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C25 H32 N4 O5 S2 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(C(CCSC)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2016 |
| logD: | 3.1999 |
| logSw: | -3.7678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.105 |
| InChI Key: | HJPACAZGPCIJON-UHFFFAOYSA-N |