3-methyl-N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-methyl-N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
3-methyl-N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0504 |
| Compound Name: | 3-methyl-N-{[5-{[2-(3-methylanilino)-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)C(NCc1nnc(n1c1cccc(C)c1)SCC(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7925 |
| logD: | 4.7925 |
| logSw: | -4.5955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.523 |
| InChI Key: | HNSVXLPYQLENQQ-UHFFFAOYSA-N |