7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-3814 |
| Compound Name: | 7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C27 H27 N5 O2 |
| Smiles: | CC1=C(Cc2ccccc2)C(N2CN(Cc3ccccn3)CN(C2=N1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8859 |
| logD: | 3.8853 |
| logSw: | -4.076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.966 |
| InChI Key: | XUMGKQSSNAAYNY-UHFFFAOYSA-N |