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15664-19-4 | 4-Imidazolidinone, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-
CAS No: 15664-19-4 Catalog No: AG001OVI MDL No:
Product Description
Catalog Number:
AG001OVI
Chemical Name:
4-Imidazolidinone, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-
CAS Number:
15664-19-4
Molecular Formula:
C31H33N3OS2
Molecular Weight:
527.7432
IUPAC Name:
5-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C31H33N3OS2/c1-3-5-6-7-13-22-33-30(35)26(34(31(33)36)24-15-9-8-10-16-24)19-21-28-32(4-2)29-25-17-12-11-14-23(25)18-20-27(29)37-28/h8-12,14-21H,3-7,13,22H2,1-2H3
InChI Key:
GYTYGDPOBZAIAI-UHFFFAOYSA-N
SMILES:
CCCCCCCN1C(=O)C(=CC=c2sc3c(n2CC)c2ccccc2cc3)N(C1=S)c1ccccc1
EC Number:
239-736-4
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.207g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.745g/mol
Monoisotopic Mass:
527.207g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.9
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