N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
Chemical Structure Depiction of
N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
Compound characteristics
| Compound ID: | C592-0621 |
| Compound Name: | N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(Cc2ccccc2)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.34 |
| logD: | 3.34 |
| logSw: | -3.7648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.853 |
| InChI Key: | QVHJCGRRDMDAAE-UHFFFAOYSA-N |