200,000+ products from a single source!
sales@angenechem.com
200726-42-7 | Benzamide, N-2-benzothiazolyl-4-butyl-
CAS No: 200726-42-7 Catalog No: AG002CX8 MDL No:
Product Description
Catalog Number:
AG002CX8
Chemical Name:
Benzamide, N-2-benzothiazolyl-4-butyl-
CAS Number:
200726-42-7
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-4-butylbenzamide
InChI:
InChI=1S/C18H18N2OS/c1-2-3-6-13-9-11-14(12-10-13)17(21)20-18-19-15-7-4-5-8-16(15)22-18/h4-5,7-12H,2-3,6H2,1H3,(H,19,20,21)
InChI Key:
HDOTYOCTLWEVGR-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.