4-(2-chloro-5-nitrophenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
4-(2-chloro-5-nitrophenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
4-(2-chloro-5-nitrophenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-7464 |
| Compound Name: | 4-(2-chloro-5-nitrophenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C20 H17 Cl N6 O3 |
| Smiles: | CC1=CC(N2C(c3cc(ccc3[Cl])[N+]([O-])=O)N=C(NC2=N1)Nc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2167 |
| logD: | 3.8749 |
| logSw: | -4.5569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.852 |
| InChI Key: | ZNFXKQANUFAEEG-GOSISDBHSA-N |