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681136-73-2 | 2-Propen-1-one, 3-(10-methyl-10H-phenothiazin-3-yl)-1-phenyl-, (2E)-
CAS No: 681136-73-2 Catalog No: AG00605E MDL No:
Product Description
Catalog Number:
AG00605E
Chemical Name:
2-Propen-1-one, 3-(10-methyl-10H-phenothiazin-3-yl)-1-phenyl-, (2E)-
CAS Number:
681136-73-2
Molecular Formula:
C22H17NOS
Molecular Weight:
343.4415
IUPAC Name:
3-(10-methylphenothiazin-3-yl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C22H17NOS/c1-23-18-9-5-6-10-21(18)25-22-15-16(11-13-19(22)23)12-14-20(24)17-7-3-2-4-8-17/h2-15H,1H3
InChI Key:
YYNQECZLPDGRNE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1ccc2c(c1)Sc1c(N2C)cccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.444g/mol
Monoisotopic Mass:
343.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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