200,000+ products from a single source!
sales@angenechem.com
87697-14-1 | 2H-1,6-Benzothiazocine, 6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-
CAS No: 87697-14-1 Catalog No: AG004GLP MDL No:
Product Description
Catalog Number:
AG004GLP
Chemical Name:
2H-1,6-Benzothiazocine, 6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-
CAS Number:
87697-14-1
Molecular Formula:
C18H18ClNOS
Molecular Weight:
331.8596
IUPAC Name:
1-(8-chloro-5-phenyl-2,3,4,5-tetrahydro-1,6-benzothiazocin-6-yl)ethanone
InChI:
InChI=1S/C18H18ClNOS/c1-13(21)20-16(14-6-3-2-4-7-14)8-5-11-22-18-10-9-15(19)12-17(18)20/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3
InChI Key:
GGZBOWJDWWTGGF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(C(=O)C)C(CCCS2)c1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.858g/mol
Monoisotopic Mass:
331.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.