3-(4-chlorophenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-chlorophenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0129 |
| Compound Name: | 3-(4-chlorophenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 386.84 |
| Molecular Formula: | C18 H19 Cl N6 O2 |
| Smiles: | CC(C)CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)[Cl])nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7764 |
| logD: | 3.7722 |
| logSw: | -4.4519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | XJQPVYNDBIWLLN-UHFFFAOYSA-N |