N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F847-0375 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 493.6 |
Molecular Formula: | C25 H23 N3 O4 S2 |
Smiles: | CCN1C(=Nc2c(csc2C1=O)c1ccc(C)cc1)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.2515 |
logD: | 4.2515 |
logSw: | -4.3126 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.235 |
InChI Key: | YFRCGAQQHIZDDA-UHFFFAOYSA-N |