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177027-05-3 | N-[[(1S,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-yl]methyl]-2-m ethoxy-5-sulfamoyl-benzamide
CAS No: 177027-05-3 Catalog No: AG00BAHB MDL No:
Product Description
Catalog Number:
AG00BAHB
Chemical Name:
N-[[(1S,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-yl]methyl]-2-m ethoxy-5-sulfamoyl-benzamide
CAS Number:
177027-05-3
IUPAC Name:
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
InChI:
InChI=1S/C18H27N3O4S/c1-25-17-8-7-14(26(19,23)24)11-15(17)18(22)20-12-13-5-4-10-21-9-3-2-6-16(13)21/h7-8,11,13,16H,2-6,9-10,12H2,1H3,(H,20,22)(H2,19,23,24)/t13-,16+/m0/s1
InChI Key:
ZFVTYFXGIGVRGN-XJKSGUPXSA-N
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
381.172g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.491g/mol
Monoisotopic Mass:
381.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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