200,000+ products from a single source!
sales@angenechem.com
89406-24-6 | Phenol, 4-bromo-2-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-
CAS No: 89406-24-6 Catalog No: AG003VY1 MDL No:
Product Description
Catalog Number:
AG003VY1
Chemical Name:
Phenol, 4-bromo-2-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-
CAS Number:
89406-24-6
Molecular Formula:
C21H16BrNOS
Molecular Weight:
410.3268
IUPAC Name:
4-bromo-2-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol
InChI:
InChI=1S/C21H16BrNOS/c22-15-10-11-19(24)16(12-15)21-13-18(14-6-2-1-3-7-14)23-17-8-4-5-9-20(17)25-21/h1-12,21,24H,13H2
InChI Key:
SZRBDICFSVYRAI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C1Sc2ccccc2N=C(C1)c1ccccc1)O
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.014g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.329g/mol
Monoisotopic Mass:
409.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.