N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | E580-0172 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 481.59 |
Molecular Formula: | C24 H23 N3 O4 S2 |
Smiles: | C1CSC2=C1N=C(N(CCc1ccccc1)C2=O)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 2.5859 |
logD: | 2.5859 |
logSw: | -3.1238 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.059 |
InChI Key: | GAOLFABEGVNHNF-UHFFFAOYSA-N |