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89516-38-1 | 2-ACETYL-10-(((2-(4-METHYLPHENYL)ETHYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89516-38-1 Catalog No: AG0040SJ MDL No:
Product Description
Catalog Number:
AG0040SJ
Chemical Name:
2-ACETYL-10-(((2-(4-METHYLPHENYL)ETHYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89516-38-1
Molecular Formula:
C25H24N2O2S
Molecular Weight:
416.5353
IUPAC Name:
1-(2-acetylphenothiazin-10-yl)-2-[2-(4-methylphenyl)ethylamino]ethanone
InChI:
InChI=1S/C25H24N2O2S/c1-17-7-9-19(10-8-17)13-14-26-16-25(29)27-21-5-3-4-6-23(21)30-24-12-11-20(18(2)28)15-22(24)27/h3-12,15,26H,13-14,16H2,1-2H3
InChI Key:
RTWGNRNAFXMGLR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CCNCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
604
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:
6
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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