N-{1-[4-(4-acetylphenyl)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-acetylphenyl)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-acetylphenyl)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: | K906-1945 |
| Compound Name: | N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 546.66 |
| Molecular Formula: | C25 H30 N4 O6 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C(CCSC)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1468 |
| logD: | 2.1462 |
| logSw: | -2.9213 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.713 |
| InChI Key: | YSZPSCDLAQCYAK-NRFANRHFSA-N |