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108176-77-8 | Urea,N-(4-methoxyphenyl)-N'-(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
CAS No: 108176-77-8 Catalog No: AG0083XD MDL No:
Product Description
Catalog Number:
AG0083XD
Chemical Name:
Urea,N-(4-methoxyphenyl)-N'-(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
CAS Number:
108176-77-8
Molecular Formula:
C17H17N3O2S
Molecular Weight:
327.4008
IUPAC Name:
1-(4-methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
InChI:
InChI=1S/C17H17N3O2S/c1-20-14-5-3-4-6-15(14)23-11-16(20)19-17(21)18-12-7-9-13(22-2)10-8-12/h3-10H,11H2,1-2H3,(H,18,21)
InChI Key:
OIAFCHOBYHAFPA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)/N=C\1/CSc2c(N1C)cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.402g/mol
Monoisotopic Mass:
327.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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