3-(adamantan-1-yl)-1-benzyl-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-benzyl-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(adamantan-1-yl)-1-benzyl-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8012-5015 |
| Compound Name: | 3-(adamantan-1-yl)-1-benzyl-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | CN1C(c2c(nc3N(Cc4ccccc4)N=C(Cn23)C23CC4CC(CC(C4)C3)C2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.552 |
| logD: | 5.5517 |
| logSw: | -5.542 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.645 |
| InChI Key: | JJRMVQGNSKCCGR-UHFFFAOYSA-N |