3-[(4-chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(4-chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0985 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C23 H28 Cl N5 O2 |
| Smiles: | CC1CN(C2CCCCC2)c2nc3c(C(N(Cc4ccc(cc4)[Cl])C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3709 |
| logD: | 5.3706 |
| logSw: | -5.7962 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.483 |
| InChI Key: | CYDDYEBCPWTYAT-HNNXBMFYSA-N |