3-[(2-chlorophenyl)methyl]-9-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chlorophenyl)methyl]-9-[(furan-2-yl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0785 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-9-[(furan-2-yl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc1N(CCCn12)Cc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7963 |
| logD: | 3.7929 |
| logSw: | -4.0159 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.977 |
| InChI Key: | GBUKXXGZCWQQNA-UHFFFAOYSA-N |