N-(2,4-difluorophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-6354 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C18 H17 F2 N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)SCC(Nc2ccc(cc2F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8248 |
| logD: | 2.817 |
| logSw: | -3.3413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.716 |
| InChI Key: | QBXIODYEYAHQNX-UHFFFAOYSA-N |