2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride
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![2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8212d41caa9c4007905125d96be1a3ea.png "2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride")
2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride
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CAS No:
117039-06-2
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Formula:
C28H35ClN4O3S
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Chemical Name:
2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride
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Synonyms:
117039-06-2;DTXSID30922266;4(3H)-Quinazolinone, 2-((1-((hexahydro-1H-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-(4-methoxyphenyl)-, monohydrochloride;2-{[1-(Azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1)
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CAS No:
2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one;hydrochloride Basic Attributes
543.1 g/mol
542.2118399 g/mol
Computed Properties
Molecular Weight:543.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:542.2118399
Monoisotopic Mass:542.2118399
Topological Polar Surface Area:90.8
Heavy Atom Count:37
Complexity:792
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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