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85742-62-7 | Urea, N'-[4-(2-benzothiazolyloxy)phenyl]-N,N-dimethyl-
CAS No: 85742-62-7 Catalog No: AG004YKS MDL No:
Product Description
Catalog Number:
AG004YKS
Chemical Name:
Urea, N'-[4-(2-benzothiazolyloxy)phenyl]-N,N-dimethyl-
CAS Number:
85742-62-7
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
3-[4-(1,3-benzothiazol-2-yloxy)phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C16H15N3O2S/c1-19(2)15(20)17-11-7-9-12(10-8-11)21-16-18-13-5-3-4-6-14(13)22-16/h3-10H,1-2H3,(H,17,20)
InChI Key:
PMKUQZITKHDUOT-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(cc1)Oc1nc2c(s1)cccc2
Properties
Complexity:
386
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:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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