N-(3-cyanophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
N-(3-cyanophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide
Compound characteristics
| Compound ID: | D579-0251 |
| Compound Name: | N-(3-cyanophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]butanamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | CCC(C(Nc1cccc(C#N)c1)=O)N1C(N=C(C=N1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8993 |
| logD: | 3.8931 |
| logSw: | -3.9006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.598 |
| InChI Key: | RLGHZWLISPNBJF-IBGZPJMESA-N |