9-benzyl-5-methyl-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-benzyl-5-methyl-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-benzyl-5-methyl-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0181 |
| Compound Name: | 9-benzyl-5-methyl-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C27 H22 N6 O3 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(Cc1ccccc1)c1nnc(c3ccc(COc4ccccc4)cc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5908 |
| logD: | 4.5891 |
| logSw: | -4.5446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.635 |
| InChI Key: | RSPCFBROFYOYCI-UHFFFAOYSA-N |