N-(1-methyl-1H-tetrazol-5-yl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1-methyl-1H-tetrazol-5-yl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(1-methyl-1H-tetrazol-5-yl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-8758 |
| Compound Name: | N-(1-methyl-1H-tetrazol-5-yl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C12 H15 N9 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(Nc2nnnn2C)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3932 |
| logD: | -0.399 |
| logSw: | -1.5223 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.914 |
| InChI Key: | ZESFKLNBURHOJL-UHFFFAOYSA-N |