9-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0309 |
| Compound Name: | 9-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 436.86 |
| Molecular Formula: | C21 H17 Cl N6 O3 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(Cc1cccc(c1)[Cl])c1nnc(c3ccc(cc3)OC)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.8428 |
| logD: | 3.8411 |
| logSw: | -4.3766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.951 |
| InChI Key: | LZKBNODGJQFGFJ-UHFFFAOYSA-N |