N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}quinoline-8-sulfonamide
Chemical Structure Depiction of
N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}quinoline-8-sulfonamide
N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}quinoline-8-sulfonamide
Compound characteristics
| Compound ID: | V004-6197 |
| Compound Name: | N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}quinoline-8-sulfonamide |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C28 H27 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(C)cc1)SCc1ccccc1C)NS(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4133 |
| logD: | 4.9919 |
| logSw: | -5.8924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.652 |
| InChI Key: | VQAUCSYVVANAFW-NRFANRHFSA-N |