N-{1-[4-(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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: | K906-1803 |
| Compound Name: | N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 534.65 |
| Molecular Formula: | C24 H30 N4 O6 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(N1CCN(CC1)c1cccc(c1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5911 |
| logD: | 2.5905 |
| logSw: | -3.1662 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.43 |
| InChI Key: | HSXAAGKTAWOOET-FQEVSTJZSA-N |