3-ethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-ethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
3-ethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | F847-0385 |
Compound Name: | 3-ethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one |
Molecular Weight: | 491.63 |
Molecular Formula: | C26 H25 N3 O3 S2 |
Smiles: | CCN1C(=Nc2c(csc2C1=O)c1ccc(C)cc1)SCC(N1CCOc2ccc(C)cc12)=O |
Stereo: | ACHIRAL |
logP: | 5.5268 |
logD: | 5.5268 |
logSw: | -5.2975 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 47.27 |
InChI Key: | ZRGNCAMMNWJTFI-UHFFFAOYSA-N |