4-methoxy-N-[(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-methoxy-N-[(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
4-methoxy-N-[(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C592-1939 |
| Compound Name: | 4-methoxy-N-[(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.878 |
| logD: | 3.878 |
| logSw: | -4.0771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.067 |
| InChI Key: | GAPSINIUQZGLPA-UHFFFAOYSA-N |