[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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![[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/10797cb9f5ef4a5aad42f13149c6f7f6.png "[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate")
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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CAS No:
757194-37-9
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Formula:
C27H31N3O4
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Chemical Name:
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
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Synonyms:
ZINC2661694;AKOS034440341;MCULE-1779873092;Z54354413;3-[(2,4,6-trimethylphenyl)carbamoyl]propyl 12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylate;757194-37-9
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CAS No:
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Basic Attributes
461.6 g/mol
461.23145648 g/mol
Computed Properties
Molecular Weight:461.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:461.23145648
Monoisotopic Mass:461.23145648
Topological Polar Surface Area:88.1
Heavy Atom Count:34
Complexity:785
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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