2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8012-9087 |
| Compound Name: | 2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C19 H18 F3 N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)SCC(Nc2ccc(cc2)OC(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1001 |
| logD: | 4.1001 |
| logSw: | -4.1625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.351 |
| InChI Key: | ZOKCVWCDXMSNPD-UHFFFAOYSA-N |