octyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
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octyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
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CAS No:
497863-96-4
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Formula:
C16H26N2O3S
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Chemical Name:
octyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
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Synonyms:
MLS000551439;CHEMBL1481650;HMS2158I03;HMS3322H01;ZINC8686203;STK547856;AKOS005476214;MCULE-4679498037;SMR000145364;3-(6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-propionic acid octyl ester;octyl 3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate;497863-96-4
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CAS No:
octyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Basic Attributes
326.5 g/mol
326.16641387 g/mol
Computed Properties
Molecular Weight:326.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:326.16641387
Monoisotopic Mass:326.16641387
Topological Polar Surface Area:99.5
Heavy Atom Count:22
Complexity:447
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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