2-methyl-N-[4-(5-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide
Chemical Structure Depiction of
2-methyl-N-[4-(5-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide
2-methyl-N-[4-(5-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | D481-2841 |
| Compound Name: | 2-methyl-N-[4-(5-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CC(C)C(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6321 |
| logD: | 4.6321 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.527 |
| InChI Key: | KEURACAVRRXNAN-UHFFFAOYSA-N |