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311327-86-3 | 2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzo[4,5]imidazo[2,1-b][1,3]thiazol-3-one
CAS No: 311327-86-3 Catalog No: AG01CAYT MDL No:MFCD00275193
Product Description
Catalog Number:
AG01CAYT
Chemical Name:
2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzo[4,5]imidazo[2,1-b][1,3]thiazol-3-one
CAS Number:
311327-86-3
Molecular Formula:
C19H24N2O4S
Molecular Weight:
376.4699
MDL Number:
MFCD00275193
IUPAC Name:
2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
InChI:
InChI=1S/C19H16N2O4S/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-16-18(22)21-13-7-5-4-6-12(13)20-19(21)26-16/h4-10H,1-3H3
InChI Key:
JYBMXHGYNPPNCP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.407g/mol
Monoisotopic Mass:
368.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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