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105734-56-3 | Urea,N-(4-methoxyphenyl)-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105734-56-3 Catalog No: AG007X0X MDL No:
Product Description
Catalog Number:
AG007X0X
Chemical Name:
Urea,N-(4-methoxyphenyl)-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105734-56-3
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
1-(4-methoxyphenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C16H15N3O2S/c1-10-3-8-13-14(9-10)22-19-15(13)18-16(20)17-11-4-6-12(21-2)7-5-11/h3-9H,1-2H3,(H2,17,18,19,20)
InChI Key:
UEYISJGYKLZVPZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)Nc1nsc2c1ccc(c2)C
Properties
Complexity:
388
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:
2
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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