methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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CAS No:
879462-35-8
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Formula:
C19H24N4O3S2
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Chemical Name:
methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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Synonyms:
2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester;methyl 2-({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate;CBKinase1_004235;CBKinase1_016635;MLS000579606;CHEMBL1607268;CHEBI:106016;HMS1591H04;HMS2524O12;ZINC2356070;STK328930;AKOS005437625;MCULE-5931197674;methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate;SMR000199044;BRD-K93592515-001-01-5;Q27183814;879462-35-8;methyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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CAS No:
Description
2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester is a thiophenecarboxylic acid.
methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Basic Attributes
420.6 g/mol
420.12898299 g/mol
Computed Properties
Molecular Weight:420.6
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:420.12898299
Monoisotopic Mass:420.12898299
Topological Polar Surface Area:146
Heavy Atom Count:28
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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