3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8131-1510 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C24 H23 Cl F N5 O3 |
| Smiles: | CC1CN(c2cccc(c2)OC)c2nc3c(C(N(Cc4c(cccc4[Cl])F)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0308 |
| logD: | 5.0307 |
| logSw: | -5.2759 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.193 |
| InChI Key: | CTLLOQNLEKGOGW-AWEZNQCLSA-N |