9-[(3-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5,7-dimethyl-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-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(3-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1096 |
| Compound Name: | 9-[(3-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 464.91 |
| Molecular Formula: | C23 H21 Cl N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(Cc3cccc(c3)[Cl])C3=C(N(C)C(N(C)C3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5653 |
| logD: | 4.5653 |
| logSw: | -4.5512 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.617 |
| InChI Key: | WBZMTKXQLBWZPX-UHFFFAOYSA-N |