N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Compound characteristics
| Compound ID: | C592-0492 |
| Compound Name: | N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(Nc1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8845 |
| logD: | 3.8845 |
| logSw: | -3.8549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | CGUHTALNFINPNR-UHFFFAOYSA-N |