N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-3493 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2ccccc2)=O)n1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7817 |
| logD: | 4.7817 |
| logSw: | -4.5352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.222 |
| InChI Key: | AMHHDXUOKXEMBN-UHFFFAOYSA-N |