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89636-84-0 | Urea, N'-[3-(2-benzothiazolyloxy)phenyl]-N-methoxy-N-methyl-
CAS No: 89636-84-0 Catalog No: AG003W5B MDL No:
Product Description
Catalog Number:
AG003W5B
Chemical Name:
Urea, N'-[3-(2-benzothiazolyloxy)phenyl]-N-methoxy-N-methyl-
CAS Number:
89636-84-0
Molecular Formula:
C16H15N3O3S
Molecular Weight:
329.3736
IUPAC Name:
3-[3-(1,3-benzothiazol-2-yloxy)phenyl]-1-methoxy-1-methylurea
InChI:
InChI=1S/C16H15N3O3S/c1-19(21-2)15(20)17-11-6-5-7-12(10-11)22-16-18-13-8-3-4-9-14(13)23-16/h3-10H,1-2H3,(H,17,20)
InChI Key:
XSKRVNLCYLEUIS-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1cccc(c1)Oc1nc2c(s1)cccc2)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.374g/mol
Monoisotopic Mass:
329.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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