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1227269-30-8 | 1-Piperidinecarboxylic acid, 3-[7-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-1,4-dihydro-2-oxo-2H-pyrido[2,3-d][1,3]oxazin-5-yl]-, 1,1-dimethylethyl ester
CAS No: 1227269-30-8 Catalog No: AG000J4V MDL No:
Product Description
Catalog Number:
AG000J4V
Chemical Name:
1-Piperidinecarboxylic acid, 3-[7-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-1,4-dihydro-2-oxo-2H-pyrido[2,3-d][1,3]oxazin-5-yl]-, 1,1-dimethylethyl ester
CAS Number:
1227269-30-8
Molecular Formula:
C31H34BrN3O6
Molecular Weight:
624.5222
IUPAC Name:
tert-butyl 3-[7-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d][1,3]oxazin-5-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C31H34BrN3O6/c1-31(2,3)41-30(37)35-13-5-6-20(16-35)23-15-26(33-28-25(23)18-40-29(36)34-28)24-14-21(32)9-12-27(24)39-17-19-7-10-22(38-4)11-8-19/h7-12,14-15,20H,5-6,13,16-18H2,1-4H3,(H,33,34,36)
InChI Key:
ABHCBUQPQRCKAQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1ccc(cc1c1nc2NC(=O)OCc2c(c1)C1CCCN(C1)C(=O)OC(C)(C)C)Br
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
623.163g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
624.532g/mol
Monoisotopic Mass:
623.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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