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68026-86-8 | 10-(((1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 68026-86-8 Catalog No: AG006GEF MDL No:
Product Description
Catalog Number:
AG006GEF
Chemical Name:
10-(((1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
68026-86-8
Molecular Formula:
C22H19N3O4S
Molecular Weight:
421.4690
IUPAC Name:
1-phenothiazin-10-yl-2-[2-[1-(2,3,4-trihydroxyphenyl)ethylidene]hydrazinyl]ethanone
InChI:
InChI=1S/C22H19N3O4S/c1-13(14-10-11-17(26)22(29)21(14)28)24-23-12-20(27)25-15-6-2-4-8-18(15)30-19-9-5-3-7-16(19)25/h2-11,23,26,28-29H,12H2,1H3
InChI Key:
GVRWIBQPXCZHKT-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CNN=C(c1ccc(c(c1O)O)O)C
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
421.471g/mol
Monoisotopic Mass:
421.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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