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76379-35-6 | Benzoxazole, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl]-
CAS No: 76379-35-6 Catalog No: AG008QIA MDL No:
Product Description
Catalog Number:
AG008QIA
Chemical Name:
Benzoxazole, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl]-
CAS Number:
76379-35-6
Molecular Formula:
C19H16N2OS
Molecular Weight:
320.4081
IUPAC Name:
2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzoxazole
InChI:
InChI=1S/C19H16N2OS/c1-2-21-15-9-4-6-11-17(15)23-19(21)13-7-12-18-20-14-8-3-5-10-16(14)22-18/h3-13H,2H2,1H3
InChI Key:
CMQWUUPOAYMLBP-UHFFFAOYSA-N
SMILES:
CCn1c(=CC=Cc2nc3c(o2)cccc3)sc2c1cccc2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.41g/mol
Monoisotopic Mass:
320.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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