ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
Compound ID: | G864-0223 |
Compound Name: | ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate |
Molecular Weight: | 462.53 |
Molecular Formula: | C24 H22 N4 O4 S |
Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7407 |
logD: | 3.7323 |
logSw: | -4.0769 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.184 |
InChI Key: | JXMOFSMMEJHYRG-UHFFFAOYSA-N |