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76379-46-9 | Quinoline, 2-[3-(3-heptyl-4-methyl-2(3H)-thiazolylidene)-1-propenyl]-
CAS No: 76379-46-9 Catalog No: AG005LSO MDL No:
Product Description
Catalog Number:
AG005LSO
Chemical Name:
Quinoline, 2-[3-(3-heptyl-4-methyl-2(3H)-thiazolylidene)-1-propenyl]-
CAS Number:
76379-46-9
Molecular Formula:
C23H28N2S
Molecular Weight:
364.5468
IUPAC Name:
3-heptyl-4-methyl-2-(3-quinolin-2-ylprop-2-enylidene)-1,3-thiazole
InChI:
InChI=1S/C23H28N2S/c1-3-4-5-6-9-17-25-19(2)18-26-23(25)14-10-12-21-16-15-20-11-7-8-13-22(20)24-21/h7-8,10-16,18H,3-6,9,17H2,1-2H3
InChI Key:
RGDNCHCZGCHIFF-UHFFFAOYSA-N
SMILES:
CCCCCCCn1c(C)csc1=CC=Cc1ccc2c(n1)cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.197g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.551g/mol
Monoisotopic Mass:
364.197g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.2
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