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16383-97-4 | 5H-thioxantheno[2,1,9-def][1,2,4]triazolo[5,1-a]isoquinolin-5-one
CAS No: 16383-97-4 Catalog No: AG001UFF MDL No:
Product Description
Catalog Number:
AG001UFF
Chemical Name:
5H-thioxantheno[2,1,9-def][1,2,4]triazolo[5,1-a]isoquinolin-5-one
CAS Number:
16383-97-4
Molecular Formula:
C19H29N3OS
Molecular Weight:
347.5181
IUPAC Name:
8-thia-14,15,17-triazahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1(22),2,4,6,9,11,15,17,19(23),20-decaen-13-one
InChI:
InChI=1S/C19H9N3OS/c23-19-13-7-8-15-17-11(10-3-1-2-4-14(10)24-15)5-6-12(16(13)17)18-20-9-21-22(18)19/h1-9H
InChI Key:
CAIKUTQDZQNKFP-UHFFFAOYSA-N
SMILES:
O=c1c2ccc3c4c2c(c2n1ncn2)ccc4c1c(s3)cccc1
EC Number:
240-433-4
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.047g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.361g/mol
Monoisotopic Mass:
327.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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