5-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8013-0320 |
| Compound Name: | 5-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C20 H21 N9 O4 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0827 |
| logD: | 1.0795 |
| logSw: | -2.2298 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.962 |
| InChI Key: | ALFMUIKESNWPIS-UHFFFAOYSA-N |