200,000+ products from a single source!
sales@angenechem.com
108176-67-6 | Urea,N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-
CAS No: 108176-67-6 Catalog No: AG007V5T MDL No:
Product Description
Catalog Number:
AG007V5T
Chemical Name:
Urea,N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-
CAS Number:
108176-67-6
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
1-(2H-1,4-benzothiazin-3-yl)-1-(4-methoxyphenyl)urea
InChI:
InChI=1S/C16H15N3O2S/c1-21-12-8-6-11(7-9-12)19(16(17)20)15-10-22-14-5-3-2-4-13(14)18-15/h2-9H,10H2,1H3,(H2,17,20)
InChI Key:
NJEPMNCSSHXWKL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(C1=Nc2c(SC1)cccc2)C(=O)N
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.