N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
Compound characteristics
| Compound ID: | D579-0745 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | CCC(C(Nc1cccc(c1C)[Cl])=O)N1C(N=C(C=N1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7033 |
| logD: | 4.7019 |
| logSw: | -4.8573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.388 |
| InChI Key: | WMLJUXNQNYMAIY-IBGZPJMESA-N |