3-(4-chlorophenyl)-5-methyl-9-propyl-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-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-chlorophenyl)-5-methyl-9-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-0044 |
Compound Name: | 3-(4-chlorophenyl)-5-methyl-9-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
Molecular Weight: | 358.78 |
Molecular Formula: | C16 H15 Cl N6 O2 |
Smiles: | CCCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(cc3)[Cl])nnc12 |
Stereo: | ACHIRAL |
logP: | 2.9871 |
logD: | 2.9829 |
logSw: | -3.7028 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.658 |
InChI Key: | VXFDJEMXHYZWDL-UHFFFAOYSA-N |