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96017-88-8 | 1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
CAS No: 96017-88-8 Catalog No: AG00690Q MDL No:
Product Description
Catalog Number:
AG00690Q
Chemical Name:
1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
CAS Number:
96017-88-8
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
IUPAC Name:
1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
InChI:
InChI=1S/C13H15N3O2S/c1-9-4-6-10(7-5-9)11-8-12(19-15-11)14-13(17)16(2)18-3/h4-8H,1-3H3,(H,14,17)
InChI Key:
WRURXLMTKAYHJM-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1snc(c1)c1ccc(cc1)C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.342g/mol
Monoisotopic Mass:
277.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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