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104121-51-9 | Urea,N-1,2-benzisothiazol-3-yl-N'-(3-methoxyphenyl)-
CAS No: 104121-51-9 Catalog No: AG0084WP MDL No:
Product Description
Catalog Number:
AG0084WP
Chemical Name:
Urea,N-1,2-benzisothiazol-3-yl-N'-(3-methoxyphenyl)-
CAS Number:
104121-51-9
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
IUPAC Name:
1-(1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
InChI:
InChI=1S/C15H13N3O2S/c1-20-11-6-4-5-10(9-11)16-15(19)17-14-12-7-2-3-8-13(12)21-18-14/h2-9H,1H3,(H2,16,17,18,19)
InChI Key:
QKHOUYMJENDWDS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)Nc1nsc2c1cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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