N-(3,4-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G864-0216 |
Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 450.52 |
Molecular Formula: | C23 H22 N4 O4 S |
Smiles: | COc1ccc(cc1OC)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0073 |
logD: | 3.0073 |
logSw: | -3.5104 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.389 |
InChI Key: | NLWZSEOOQWJAPM-UHFFFAOYSA-N |