3-[(3-chlorophenyl)methyl]-1,7-dimethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-1,7-dimethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(3-chlorophenyl)methyl]-1,7-dimethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0362 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-1,7-dimethyl-9-phenyl-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: | CC1CN(c2ccccc2)c2nc3c(C(N(Cc4cccc(c4)[Cl])C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9505 |
| logD: | 4.9503 |
| logSw: | -4.8957 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.65 |
| InChI Key: | CLBUCLQJGZEPOR-HNNXBMFYSA-N |