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1228168-21-5 | Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-(4-morpholinylcarbonyl)-
CAS No: 1228168-21-5 Catalog No: AG000JJP MDL No:MFCD22376816
Product Description
Catalog Number:
AG000JJP
Chemical Name:
Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-(4-morpholinylcarbonyl)-
CAS Number:
1228168-21-5
Molecular Formula:
C26H27ClN4O4
Molecular Weight:
494.9700
MDL Number:
MFCD22376816
IUPAC Name:
N-(5-chloro-2-methoxyphenyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
InChI:
InChI=1S/C26H27ClN4O4/c1-34-23-7-6-17(27)14-22(23)29-24(32)16-30-9-8-21-19(15-30)25(18-4-2-3-5-20(18)28-21)26(33)31-10-12-35-13-11-31/h2-7,14H,8-13,15-16H2,1H3,(H,29,32)
InChI Key:
WOFDUHKNOLSGSH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CN1CCc2c(C1)c(C(=O)N1CCOCC1)c1c(n2)cccc1)Cl
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.172g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.976g/mol
Monoisotopic Mass:
494.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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