N-{1-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-{1-[4-(5-chloro-2-methylphenyl)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: | K906-1853 |
| Compound Name: | N-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 553.1 |
| Molecular Formula: | C24 H29 Cl N4 O5 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(C(CCSC)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7657 |
| logD: | 3.7651 |
| logSw: | -4.3832 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.586 |
| InChI Key: | NGCMJQZVUGMZFC-IBGZPJMESA-N |