2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)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-(2-phenylethyl)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-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | 8012-9256 |
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-(2-phenylethyl)acetamide |
Molecular Weight: | 413.5 |
Molecular Formula: | C20 H23 N5 O3 S |
Smiles: | CN1C(c2c(nc(n2CC=C)SCC(NCCc2ccccc2)=O)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3649 |
logD: | 2.3649 |
logSw: | -2.7288 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.578 |
InChI Key: | CHOFNWPXSHPQKD-UHFFFAOYSA-N |