2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-{2-[3-(1H-tetrazol-1-yl)phenoxy]ethyl}acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-{2-[3-(1H-tetrazol-1-yl)phenoxy]ethyl}acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-{2-[3-(1H-tetrazol-1-yl)phenoxy]ethyl}acetamide
Compound characteristics
| Compound ID: | D283-0016 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-{2-[3-(1H-tetrazol-1-yl)phenoxy]ethyl}acetamide |
| Molecular Weight: | 425.41 |
| Molecular Formula: | C18 H19 N9 O4 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CC(NCCOc1cccc(c1)n1cnnn1)=O)cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2207 |
| logD: | 0.2207 |
| logSw: | -2.1269 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.4 |
| InChI Key: | UBZHDVGGUNVWQT-UHFFFAOYSA-N |