3-[(3-chlorophenyl)methyl]-1-methyl-9-phenyl-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-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(3-chlorophenyl)methyl]-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0010 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Cl])C(c2c1nc1N(CCCn12)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4854 |
| logD: | 4.4846 |
| logSw: | -4.5116 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.783 |
| InChI Key: | QURGIZTWMZJONT-UHFFFAOYSA-N |