9-butyl-3-(4-chlorophenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-butyl-3-(4-chlorophenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-butyl-3-(4-chlorophenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0078 |
| Compound Name: | 9-butyl-3-(4-chlorophenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C17 H17 Cl N6 O2 |
| Smiles: | CCCCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)[Cl])nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4613 |
| logD: | 3.4571 |
| logSw: | -4.016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | UJWZQNGFNWJDEY-UHFFFAOYSA-N |