N-(2H-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-0836 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
Molecular Weight: | 470.51 |
Molecular Formula: | C25 H18 N4 O4 S |
Smiles: | C1Oc2ccc(cc2O1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7595 |
logD: | 3.7595 |
logSw: | -4.3563 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.383 |
InChI Key: | OGYKHVNLTNLWAT-UHFFFAOYSA-N |