[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a8b5c94640fe4d9eb718ec33d29b3d3c.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
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CAS No:
475180-92-8
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Formula:
C25H22ClNO3S
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
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Synonyms:
Oprea1_876519;ZINC3241726;AKOS033648920;MCULE-8964446600;Z18896838;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate;475180-92-8
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Basic Attributes
452.0 g/mol
451.1008924 g/mol
Computed Properties
Molecular Weight:452.0
XLogP3:5.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:451.1008924
Monoisotopic Mass:451.1008924
Topological Polar Surface Area:71.9
Heavy Atom Count:31
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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