200,000+ products from a single source!
sales@angenechem.com
67229-95-2 | Urea, N-[4-(6-methyl-2-benzothiazolyl)phenyl]-N'-octyl-
CAS No: 67229-95-2 Catalog No: AG005Q32 MDL No:
Product Description
Catalog Number:
AG005Q32
Chemical Name:
Urea, N-[4-(6-methyl-2-benzothiazolyl)phenyl]-N'-octyl-
CAS Number:
67229-95-2
Molecular Formula:
C23H29N3OS
Molecular Weight:
395.5609
IUPAC Name:
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-octylurea
InChI:
InChI=1S/C23H29N3OS/c1-3-4-5-6-7-8-15-24-23(27)25-19-12-10-18(11-13-19)22-26-20-14-9-17(2)16-21(20)28-22/h9-14,16H,3-8,15H2,1-2H3,(H2,24,25,27)
InChI Key:
NINIELBBYHVPID-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.203g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.565g/mol
Monoisotopic Mass:
395.203g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.