N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1101 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 528.59 |
Molecular Formula: | C28 H24 N4 O5 S |
Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.3895 |
logD: | 3.3894 |
logSw: | -3.7811 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.214 |
InChI Key: | FNOSSHKSOMQBHG-UHFFFAOYSA-N |