N-{[5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-3186 |
| Compound Name: | N-{[5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccccc2)=O)nnc1SCC(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9976 |
| logD: | 3.9976 |
| logSw: | -4.0082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | DSINLZAGLUOVDL-UHFFFAOYSA-N |