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67897-45-4 | 10-(((1-PHENYLPROPYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 67897-45-4 Catalog No: AG005P3C MDL No:
Product Description
Catalog Number:
AG005P3C
Chemical Name:
10-(((1-PHENYLPROPYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
67897-45-4
Molecular Formula:
C23H21N3OS
Molecular Weight:
387.4973
IUPAC Name:
1-phenothiazin-10-yl-2-[2-(1-phenylpropylidene)hydrazinyl]ethanone
InChI:
InChI=1S/C23H21N3OS/c1-2-18(17-10-4-3-5-11-17)25-24-16-23(27)26-19-12-6-8-14-21(19)28-22-15-9-7-13-20(22)26/h3-15,24H,2,16H2,1H3
InChI Key:
GEELIMCKSIATSR-UHFFFAOYSA-N
SMILES:
CCC(=NNCC(=O)N1c2ccccc2Sc2c1cccc2)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.141g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.501g/mol
Monoisotopic Mass:
387.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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