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918647-42-4 | 1H-Benz[f]indene-1,3(2H)-dione, 2-(4-oxo-4H-1,3-benzothiazin-2-yl)-
CAS No: 918647-42-4 Catalog No: AG006O7W MDL No:
Product Description
Catalog Number:
AG006O7W
Chemical Name:
1H-Benz[f]indene-1,3(2H)-dione, 2-(4-oxo-4H-1,3-benzothiazin-2-yl)-
CAS Number:
918647-42-4
Molecular Formula:
C21H11NO3S
Molecular Weight:
357.3819
IUPAC Name:
2-(4-oxo-1,3-benzothiazin-2-yl)cyclopenta[b]naphthalene-1,3-dione
InChI:
InChI=1S/C21H11NO3S/c23-18-14-9-11-5-1-2-6-12(11)10-15(14)19(24)17(18)21-22-20(25)13-7-3-4-8-16(13)26-21/h1-10,17H
InChI Key:
QNYNEGPJZIMXPG-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc(=O)c3c(s2)cccc3)C(=O)c2c1cc1ccccc1c2
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.046g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.383g/mol
Monoisotopic Mass:
357.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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