3-(adamantan-1-yl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
3-(adamantan-1-yl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(adamantan-1-yl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
Compound ID: | 8012-5014 |
Compound Name: | 3-(adamantan-1-yl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
Molecular Weight: | 368.44 |
Molecular Formula: | C19 H24 N6 O2 |
Smiles: | CN1C(c2c(nc3NN=C(Cn23)C23CC4CC(CC(C4)C3)C2)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9002 |
logD: | 3.9 |
logSw: | -3.9405 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.652 |
InChI Key: | UOEJPIQWZUVVHV-UHFFFAOYSA-N |