3-(adamantan-1-yl)-1-(2-hydroxyethyl)-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)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(adamantan-1-yl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8012-7802 |
| Compound Name: | 3-(adamantan-1-yl)-1-(2-hydroxyethyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | CN1C(c2c(nc3N(CCO)N=C(Cn23)C23CC4CC(CC(C4)C3)C2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3751 |
| logD: | 3.375 |
| logSw: | -3.2009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.551 |
| InChI Key: | GQAXLRYUMUNPLB-UHFFFAOYSA-N |