3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,8-dimethyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,8-dimethyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,8-dimethyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-3800 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,8-dimethyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | CC1=C(C)N=C2N(CN(Cc3ccc4c(c3)OCO4)CN2c2ccc(cc2)OC)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4761 |
| logD: | 3.4042 |
| logSw: | -3.5641 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.81 |
| InChI Key: | NGZWFKFOADRVEB-UHFFFAOYSA-N |