3-[(2-chlorophenyl)methyl]-9-cyclohexyl-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-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chlorophenyl)methyl]-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0844 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C22 H26 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc1N(CCCn12)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5762 |
| logD: | 4.5753 |
| logSw: | -4.4458 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.616 |
| InChI Key: | ZNYUAWRLLZPEQH-UHFFFAOYSA-N |