2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(3-methylpent-1-yn-3-yl)acetamide
Chemical Structure Depiction of
2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(3-methylpent-1-yn-3-yl)acetamide
2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(3-methylpent-1-yn-3-yl)acetamide
Compound characteristics
| Compound ID: | 8016-6652 |
| Compound Name: | 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(3-methylpent-1-yn-3-yl)acetamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C17 H23 N5 O3 S |
| Smiles: | CCC(C)(C#C)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2937 |
| logD: | 2.2937 |
| logSw: | -2.5905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.512 |
| InChI Key: | NFMIOIWNSLLQJG-QGZVFWFLSA-N |