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89571-98-2 | 5H-Benzo[a]phenothiazin-5-one, 6-[(3-ethoxyphenyl)amino]-
CAS No: 89571-98-2 Catalog No: AG003Z9C MDL No:
Product Description
Catalog Number:
AG003Z9C
Chemical Name:
5H-Benzo[a]phenothiazin-5-one, 6-[(3-ethoxyphenyl)amino]-
CAS Number:
89571-98-2
Molecular Formula:
C24H18N2O2S
Molecular Weight:
398.4769
IUPAC Name:
6-(3-ethoxyanilino)benzo[a]phenothiazin-5-one
InChI:
InChI=1S/C24H18N2O2S/c1-2-28-16-9-7-8-15(14-16)25-22-23(27)18-11-4-3-10-17(18)21-24(22)29-20-13-6-5-12-19(20)26-21/h3-14,25H,2H2,1H3
InChI Key:
GFZWMNWNZPVBNA-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)Nc1c2sc3ccccc3nc2c2c(c1=O)cccc2
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.109g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.48g/mol
Monoisotopic Mass:
398.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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