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918158-32-4 | 1H-Phenalene-1,3(2H)-dione, 5-hydroxy-2-(6-phenyl-2-benzothiazolyl)-
CAS No: 918158-32-4 Catalog No: AG006LAF MDL No:
Product Description
Catalog Number:
AG006LAF
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 5-hydroxy-2-(6-phenyl-2-benzothiazolyl)-
CAS Number:
918158-32-4
Molecular Formula:
C26H15NO3S
Molecular Weight:
421.4672
IUPAC Name:
5-hydroxy-2-(6-phenyl-1,3-benzothiazol-2-yl)phenalene-1,3-dione
InChI:
InChI=1S/C26H15NO3S/c28-17-11-16-7-4-8-18-22(16)19(13-17)25(30)23(24(18)29)26-27-20-10-9-15(12-21(20)31-26)14-5-2-1-3-6-14/h1-13,23,28H
InChI Key:
PZZFWALOILTPLY-UHFFFAOYSA-N
SMILES:
Oc1cc2cccc3c2c(c1)C(=O)C(C3=O)c1sc2c(n1)ccc(c2)c1ccccc1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.077g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.47g/mol
Monoisotopic Mass:
421.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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