1-(3,5-dichlorophenyl)-7,8-dimethyl-3-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
1-(3,5-dichlorophenyl)-7,8-dimethyl-3-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
1-(3,5-dichlorophenyl)-7,8-dimethyl-3-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-3888 |
| Compound Name: | 1-(3,5-dichlorophenyl)-7,8-dimethyl-3-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C20 H19 Cl2 N5 O |
| Smiles: | CC1=C(C)N=C2N(CN(Cc3cccnc3)CN2c2cc(cc(c2)[Cl])[Cl])C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6276 |
| logD: | 3.6266 |
| logSw: | -3.8151 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.668 |
| InChI Key: | QJBFUWVIHKGFAZ-UHFFFAOYSA-N |