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
Available: 120 mg
Amount:
mg
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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
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