N-(2-ethoxyphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2-ethoxyphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-0776 |
Compound Name: | N-(2-ethoxyphenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
Molecular Weight: | 408.48 |
Molecular Formula: | C21 H20 N4 O3 S |
Smiles: | CCOc1ccccc1NC(CSC1=Nc2c3ccccc3[nH]c2C(N1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9113 |
logD: | 2.9112 |
logSw: | -3.3849 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.428 |
InChI Key: | CKUDWCGGKKOYJP-UHFFFAOYSA-N |