[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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![[2-[N-(2-cyanoethyl)-4-fluoroanilino]-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/20220812/0962fcb3dfb1438ca3cbe46fe8f814ce.png "[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate")
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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CAS No:
756832-08-3
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Formula:
C25H23FN4O4
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Chemical Name:
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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Synonyms:
ZINC2662309;AKOS002440469;MCULE-9515523388;Z15387415;[(2-cyanoethyl)(4-fluorophenyl)carbamoyl]methyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate;756832-08-3
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CAS No:
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Basic Attributes
462.5 g/mol
462.17033339 g/mol
Computed Properties
Molecular Weight:462.5
XLogP3:2.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:462.17033339
Monoisotopic Mass:462.17033339
Topological Polar Surface Area:103
Heavy Atom Count:34
Complexity:860
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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