9-butyl-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-butyl-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-butyl-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0539 |
| Compound Name: | 9-butyl-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | CCCCN1C2=C(N(C)C(N(C)C2=O)=O)n2c(c3ccc(cc3)OC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.1848 |
| logD: | 3.1848 |
| logSw: | -3.1125 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.287 |
| InChI Key: | DUVLYBXLEKSOIU-UHFFFAOYSA-N |