2-(2-methoxyanilino)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
2-(2-methoxyanilino)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
2-(2-methoxyanilino)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | D718-0383 |
| Compound Name: | 2-(2-methoxyanilino)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC1=CC(N2C(c3ccc(cc3)SC)N=C(NC2=N1)Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8944 |
| logD: | 1.6392 |
| logSw: | -4.1945 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.403 |
| InChI Key: | CQQNBTGJJBCZRM-LJQANCHMSA-N |