N-(2-chloro-6-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-chloro-6-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
N-(2-chloro-6-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide
Compound characteristics
Compound ID: | D579-0025 |
Compound Name: | N-(2-chloro-6-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamide |
Molecular Weight: | 354.79 |
Molecular Formula: | C18 H15 Cl N4 O2 |
Smiles: | Cc1cccc(c1NC(CN1C(N=C(C=N1)c1ccccc1)=O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.2137 |
logD: | 3.2117 |
logSw: | -3.4553 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.815 |
InChI Key: | DXXZXGOBUVVWJH-UHFFFAOYSA-N |