1,7-dimethyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,7-dimethyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1,7-dimethyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D389-0917 |
Compound Name: | 1,7-dimethyl-3-(2-oxopropyl)-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
Molecular Weight: | 459.5 |
Molecular Formula: | C25 H25 N5 O4 |
Smiles: | CC1CN(c2ccc(cc2)Oc2ccccc2)c2nc3c(C(N(CC(C)=O)C(N3C)=O)=O)n2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9468 |
logD: | 3.9466 |
logSw: | -3.9839 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 65.004 |
InChI Key: | FFWWBGYEDZSJCD-INIZCTEOSA-N |