2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
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![2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8458e154641e4aa499ba2aa47f01710c.png "2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one")
2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
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CAS No:
871486-85-0
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Formula:
C25H23N3O3S
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Chemical Name:
2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
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Synonyms:
ZINC2644656;AKOS002491439;MCULE-2514191249;AB00726343-01;Z19057241;2-{[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,4-dihydroquinazolin-4-one;871486-85-0
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CAS No:
2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Basic Attributes
445.5 g/mol
445.14601278 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:445.14601278
Monoisotopic Mass:445.14601278
Topological Polar Surface Area:108
Heavy Atom Count:32
Complexity:776
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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