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89516-31-4 | 2-ACETYL-10-((((2,4-DIMETHYLPHENYL)METHYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89516-31-4 Catalog No: AG0040SK MDL No:
Product Description
Catalog Number:
AG0040SK
Chemical Name:
2-ACETYL-10-((((2,4-DIMETHYLPHENYL)METHYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89516-31-4
Molecular Formula:
C25H24N2O2S
Molecular Weight:
416.5353
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[(2,4-dimethylphenyl)methylamino]ethanone
InChI:
InChI=1S/C25H24N2O2S/c1-16-8-9-20(17(2)12-16)14-26-15-25(29)27-21-6-4-5-7-23(21)30-24-11-10-19(18(3)28)13-22(24)27/h4-13,26H,14-15H2,1-3H3
InChI Key:
QUTWAILAKUEZJQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)CNCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=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:
416.156g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.539g/mol
Monoisotopic Mass:
416.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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