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67897-42-1 | 10-(((1-(3-ACETAMIDOPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 67897-42-1 Catalog No: AG005P3D MDL No:
Product Description
Catalog Number:
AG005P3D
Chemical Name:
10-(((1-(3-ACETAMIDOPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
67897-42-1
Molecular Formula:
C24H22N4O2S
Molecular Weight:
430.5221
IUPAC Name:
N-[3-[C-methyl-N-[(2-oxo-2-phenothiazin-10-ylethyl)amino]carbonimidoyl]phenyl]acetamide
InChI:
InChI=1S/C24H22N4O2S/c1-16(18-8-7-9-19(14-18)26-17(2)29)27-25-15-24(30)28-20-10-3-5-12-22(20)31-23-13-6-4-11-21(23)28/h3-14,25H,15H2,1-2H3,(H,26,29)
InChI Key:
MBMKXWSTBSLRMH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)C(=NNCC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.146g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.526g/mol
Monoisotopic Mass:
430.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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