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88678-31-3 | Liranaftate
CAS No: 88678-31-3 Catalog No: AG0047GK MDL No:MFCD00865576
Product Description
Catalog Number:
AG0047GK
Chemical Name:
Liranaftate
CAS Number:
88678-31-3
Molecular Formula:
C18H20N2O2S
Molecular Weight:
328.4286
MDL Number:
MFCD00865576
IUPAC Name:
O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
InChI:
InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3
InChI Key:
VPHPQNGOVQYUMG-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)N(C(=S)Oc1ccc2c(c1)CCCC2)C
UNII:
5253IGO5X3
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.43g/mol
Monoisotopic Mass:
328.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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