N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C592-3180 |
| Compound Name: | N-[(5-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(CNC(c2ccccc2)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4084 |
| logD: | 3.4084 |
| logSw: | -3.7567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | GZOKKVIAZMNBKZ-UHFFFAOYSA-N |