N-cyclohexyl-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
N-cyclohexyl-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Compound characteristics
| Compound ID: | 8013-5550 |
| Compound Name: | N-cyclohexyl-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C18 H24 N8 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ncnn2CC(NC2CCCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6351 |
| logD: | 1.6351 |
| logSw: | -2.2174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.602 |
| InChI Key: | AQUWOYGMKIVQGG-UHFFFAOYSA-N |