6-(BENZOTHIAZOL-2-YLCARBAMOYL)-3-METHYL-CYCLOHEX-3-ENECARBOXYLIC ACID
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6-(BENZOTHIAZOL-2-YLCARBAMOYL)-3-METHYL-CYCLOHEX-3-ENECARBOXYLIC ACID
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CAS No:
332410-15-8
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Formula:
C16H16N2O3S
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Chemical Name:
6-(BENZOTHIAZOL-2-YLCARBAMOYL)-3-METHYL-CYCLOHEX-3-ENECARBOXYLIC ACID
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Synonyms:
6-(Benzothiazol-2-ylcarbamoyl)-3-methyl-cyclohex-3-enecarboxylic acid;6-(Benzo[d]thiazol-2-ylcarbamoyl)-3-methylcyclohex-3-enecarboxylic acid;6-(N-benzothiazol-2-ylcarbamoyl)-3-methylcyclohex-3-enecarboxylic acid;Oprea1_282577;Oprea1_560357;CTK4H0263;DTXSID50389317;HMS1673L04;SBB027846;AKOS000301795
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CAS No:
6-(BENZOTHIAZOL-2-YLCARBAMOYL)-3-METHYL-CYCLOHEX-3-ENECARBOXYLIC ACID Basic Attributes
316.37
316.088
DTXSID50389317
2934200090
Computed Properties
Molecular Weight:316.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:316.08816355
Monoisotopic Mass:316.08816355
Topological Polar Surface Area:108
Heavy Atom Count:22
Complexity:494
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-(BENZOTHIAZOL-2-YLCARBAMOYL)-3-METHYL-CYCLOHEX-3-ENECARBOXYLIC ACID
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