200,000+ products from a single source!
sales@angenechem.com
86758-92-1 | 1-Piperazinamine, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3,4-dimethoxyphenyl)methylene)-
CAS No: 86758-92-1 Catalog No: AG004K6V MDL No:
Product Description
Catalog Number:
AG004K6V
Chemical Name:
1-Piperazinamine, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3,4-dimethoxyphenyl)methylene)-
CAS Number:
86758-92-1
Molecular Formula:
C27H29N3O2S
Molecular Weight:
459.6031
IUPAC Name:
N-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)methanimine
InChI:
InChI=1S/C27H29N3O2S/c1-31-24-12-11-20(17-25(24)32-2)19-28-30-15-13-29(14-16-30)23-18-21-7-3-5-9-26(21)33-27-10-6-4-8-22(23)27/h3-12,17,19,23H,13-16,18H2,1-2H3
InChI Key:
OSGPHJWRMBLLFC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C=NN1CCN(CC1)C1Cc2ccccc2Sc2c1cccc2
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.198g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.608g/mol
Monoisotopic Mass:
459.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.