(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
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![(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d4eb33879cd84343bde8c7be607a3ac8.png "(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide")
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
structure -
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CAS No:
729561-25-5
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Formula:
C24H21N5O3
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Chemical Name:
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
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Synonyms:
729561-25-5;(Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
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CAS No:
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide Basic Attributes
427.5 g/mol
427.16443955 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:427.16443955
Monoisotopic Mass:427.16443955
Topological Polar Surface Area:102
Heavy Atom Count:32
Complexity:756
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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