2-[4-[3-(4-bromo-2,5-dimethylpyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetic acid
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2-[4-[3-(4-bromo-2,5-dimethylpyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetic acid
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CAS No:
879469-34-8
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Formula:
C15H14BrN5O2S
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Chemical Name:
2-[4-[3-(4-bromo-2,5-dimethylpyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetic acid
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Synonyms:
CBKinase1_012380;CBKinase1_024780;ZINC5811511;STK584620;STK780880;AKOS005507783;AKOS024271779;MCULE-1749991355;SR-01000298532;SR-01000298532-1;BRD-K82536291-001-01-5;{4-[3-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid;{4-[3-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}acetic acid;879469-34-8
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CAS No:
2-[4-[3-(4-bromo-2,5-dimethylpyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetic acid Basic Attributes
408.3 g/mol
407.00516 g/mol
Computed Properties
Molecular Weight:408.3
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:407.00516
Monoisotopic Mass:407.00516
Topological Polar Surface Area:115
Heavy Atom Count:24
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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