200,000+ products from a single source!
sales@angenechem.com
76115-66-7 | 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
CAS No: 76115-66-7 Catalog No: AG01EXB9 MDL No:
Product Description
Catalog Number:
AG01EXB9
Chemical Name:
1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
CAS Number:
76115-66-7
Molecular Formula:
C24H19NO2S
Molecular Weight:
385.4782
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C24H19NO2S/c26-21(18-11-5-2-6-12-18)15-19(17-9-3-1-4-10-17)16-22(27)24-25-20-13-7-8-14-23(20)28-24/h1-14,19H,15-16H2
InChI Key:
TYHBVFYRJLCJCZ-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(s1)cccc2)CC(c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.481g/mol
Monoisotopic Mass:
385.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.3A^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.