4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-7465 |
| Compound Name: | 4-(2-chloro-5-nitrophenyl)-2-(2,4-dimethylanilino)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C21 H19 Cl N6 O3 |
| Smiles: | CC1=CC(N2C(c3cc(ccc3[Cl])[N+]([O-])=O)N=C(NC2=N1)Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5109 |
| logD: | 4.1278 |
| logSw: | -4.6084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.154 |
| InChI Key: | UZDONODWKCECSF-LJQANCHMSA-N |