2-(1H-benzimidazol-2-yl)-4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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2-(1H-benzimidazol-2-yl)-4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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CAS No:
734534-96-4
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Formula:
C28H30N6OS
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Chemical Name:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
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Synonyms:
ZINC3361512;Z15573401;4-{[5-(4-tert-butylphenyl)-4-cyclopentyl-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxobutanenitrile;734534-96-4
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CAS No:
2-(1H-benzimidazol-2-yl)-4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile Basic Attributes
498.6 g/mol
498.22018078 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:498.22018078
Monoisotopic Mass:498.22018078
Topological Polar Surface Area:129
Heavy Atom Count:36
Complexity:835
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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