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86965-88-0 | Morpholine, 4-[3-(1-naphthalenylamino)-2-phenyl-1-thioxo-2-propenyl]-
CAS No: 86965-88-0 Catalog No: AG004O6N MDL No:
Product Description
Catalog Number:
AG004O6N
Chemical Name:
Morpholine, 4-[3-(1-naphthalenylamino)-2-phenyl-1-thioxo-2-propenyl]-
CAS Number:
86965-88-0
Molecular Formula:
C23H22N2OS
Molecular Weight:
374.4986
IUPAC Name:
1-morpholin-4-yl-3-(naphthalen-1-ylamino)-2-phenylprop-2-ene-1-thione
InChI:
InChI=1S/C23H22N2OS/c27-23(25-13-15-26-16-14-25)21(19-7-2-1-3-8-19)17-24-22-12-6-10-18-9-4-5-11-20(18)22/h1-12,17,24H,13-16H2
InChI Key:
LMZNAWSQULPVKX-UHFFFAOYSA-N
SMILES:
S=C(C(=CNc1cccc2c1cccc2)c1ccccc1)N1CCOCC1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.145g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.502g/mol
Monoisotopic Mass:
374.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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