[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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![[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b55168cd111a4932be8ac1307589c56b.png "[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate")
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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CAS No:
756868-19-6
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Formula:
C27H27N3O4S
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Chemical Name:
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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Synonyms:
ZINC2661134;AKOS002440535;MCULE-9182655440;Z15387584;2-{2,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrol-3-yl}-2-oxoethyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate;756868-19-6
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CAS No:
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Basic Attributes
489.6 g/mol
489.17222752 g/mol
Computed Properties
Molecular Weight:489.6
XLogP3:3.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:489.17222752
Monoisotopic Mass:489.17222752
Topological Polar Surface Area:109
Heavy Atom Count:35
Complexity:863
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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