3-[(2-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1143 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | Cc1ccc(c(C)c1)N1CCCn2c3C(N(Cc4ccccc4[Cl])C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5328 |
| logD: | 5.5309 |
| logSw: | -5.8043 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.482 |
| InChI Key: | RGTOKSHEEXHIAT-UHFFFAOYSA-N |