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(E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide structure

CAS No:
455326-53-1
Formula:
C26H22ClN5O2S
Chemical Name:
(E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Synonyms:
ZINC2357966;STL357648;AKOS022122589;(2E)-N-{4-[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide;455326-53-1

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(E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide Basic Attributes

Molecular Weight：

504.0 g/mol

Exact Mass：

503.1182738 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:504.0
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:503.1182738
Monoisotopic Mass:503.1182738
Topological Polar Surface Area:114
Heavy Atom Count:35
Complexity:727
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide

Basic Attributes
Characteristics
Computed Properties

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