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65286-77-3 | 7H-1-Benzopyran-7-one, 2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-
CAS No: 65286-77-3 Catalog No: AG00H5VO MDL No:
Product Description
Catalog Number:
AG00H5VO
Chemical Name:
7H-1-Benzopyran-7-one, 2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-
CAS Number:
65286-77-3
Molecular Formula:
C19H15NO2S
Molecular Weight:
321.3929
IUPAC Name:
2-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]chromen-7-one
InChI:
InChI=1S/C19H15NO2S/c1-2-20-16-5-3-4-6-18(16)23-19(20)12-15-10-8-13-7-9-14(21)11-17(13)22-15/h3-12H,2H2,1H3
InChI Key:
AVNVAPSFCMUCPH-UHFFFAOYSA-N
SMILES:
CCn1c(=Cc2ccc3c(o2)cc(=O)cc3)sc2c1cccc2
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.394g/mol
Monoisotopic Mass:
321.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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