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67897-44-3 | 10-(((1-(2,4-DIHYDROXYPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 67897-44-3 Catalog No: AG006I7L MDL No:
Product Description
Catalog Number:
AG006I7L
Chemical Name:
10-(((1-(2,4-DIHYDROXYPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
67897-44-3
Molecular Formula:
C22H19N3O3S
Molecular Weight:
405.4696
IUPAC Name:
2-[2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C22H19N3O3S/c1-14(16-11-10-15(26)12-19(16)27)24-23-13-22(28)25-17-6-2-4-8-20(17)29-21-9-5-3-7-18(21)25/h2-12,23,26-27H,13H2,1H3
InChI Key:
NEVUURRKIKYTNX-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=NNCC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.115g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.472g/mol
Monoisotopic Mass:
405.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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