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37102-50-4 | 5-PHENOXYCARBONYLOXY-1-FORMYLISOQUINOLINE THIOSEMICARBAZONE
CAS No: 37102-50-4 Catalog No: AG007B09 MDL No:
Product Description
Catalog Number:
AG007B09
Chemical Name:
5-PHENOXYCARBONYLOXY-1-FORMYLISOQUINOLINE THIOSEMICARBAZONE
CAS Number:
37102-50-4
Molecular Formula:
C18H14N4O3S
Molecular Weight:
366.3938
IUPAC Name:
[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-5-yl] phenyl carbonate
InChI:
InChI=1S/C18H14N4O3S/c19-17(26)22-21-11-15-13-7-4-8-16(14(13)9-10-20-15)25-18(23)24-12-5-2-1-3-6-12/h1-11H,(H3,19,22,26)/b21-11+
InChI Key:
BYMKGGPVXGMJOX-SRZZPIQSSA-N
SMILES:
O=C(Oc1cccc2c1ccnc2C=NNC(=S)N)Oc1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
366.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.395g/mol
Monoisotopic Mass:
366.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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