ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate
ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-5809 |
| Compound Name: | ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate |
| Molecular Weight: | 526.58 |
| Molecular Formula: | C22 H26 N10 O4 S |
| Smiles: | CCOC(N1CCN(CC1)c1nc2c(C(NC(N2C)=O)=O)n1CCSc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2476 |
| logD: | 2.2475 |
| logSw: | -2.831 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.292 |
| InChI Key: | UQXJTANXOQQRFI-UHFFFAOYSA-N |