3-[(3-chlorophenyl)methyl]-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(3-chlorophenyl)methyl]-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0050 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C23 H22 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)N1CCCn2c3C(N(Cc4cccc(c4)[Cl])C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0303 |
| logD: | 5.0295 |
| logSw: | -4.9928 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.783 |
| InChI Key: | CSQIHSNYWGTXKT-UHFFFAOYSA-N |