5,7-dimethyl-3-(4-methylphenyl)-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5,7-dimethyl-3-(4-methylphenyl)-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5,7-dimethyl-3-(4-methylphenyl)-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-0928 |
Compound Name: | 5,7-dimethyl-3-(4-methylphenyl)-9-(3-phenylpropyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
Molecular Weight: | 428.49 |
Molecular Formula: | C24 H24 N6 O2 |
Smiles: | Cc1ccc(cc1)c1nnc2N(CCCc3ccccc3)C3=C(N(C)C(N(C)C3=O)=O)n12 |
Stereo: | ACHIRAL |
logP: | 4.6031 |
logD: | 4.6031 |
logSw: | -4.3541 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.472 |
InChI Key: | FFBOYPYAPINUKD-UHFFFAOYSA-N |