methyl 2-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

Chemical Structure Depiction of
methyl 2-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Available: 169 mg
Amount:
mg
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Compound characteristics

Compound ID: L387-6223
Compound Name: methyl 2-(2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Molecular Weight: 499.61
Molecular Formula: C23 H25 N5 O4 S2
Smiles: COC(c1ccccc1NC(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCCC1)=O)=O
Stereo: ACHIRAL
logP: 4.0402
logD: 4.0319
logSw: -4.1309
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 83.495
InChI Key: DSVCMIJCYJYSMG-UHFFFAOYSA-N
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