2-{[(4-chlorophenyl)methyl]amino}-8-methyl-4-(4-methylphenyl)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-8-methyl-4-(4-methylphenyl)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
2-{[(4-chlorophenyl)methyl]amino}-8-methyl-4-(4-methylphenyl)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | D718-0506 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-8-methyl-4-(4-methylphenyl)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C21 H20 Cl N5 O |
| Smiles: | CC1=CC(N2C(c3ccc(C)cc3)N=C(NCc3ccc(cc3)[Cl])NC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6984 |
| logD: | -0.5296 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.793 |
| InChI Key: | GABAKYXNRDLJOA-LJQANCHMSA-N |