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65988-74-1 | (3z)-3-imino-8,9-dimethoxy-5,6-dihydro[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
CAS No: 65988-74-1 Catalog No: AG006LMO MDL No:
Product Description
Catalog Number:
AG006LMO
Chemical Name:
(3z)-3-imino-8,9-dimethoxy-5,6-dihydro[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
CAS Number:
65988-74-1
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
3-imino-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carbonitrile
InChI:
InChI=1S/C14H13N3O2S/c1-18-10-5-8-3-4-17-13(9(8)6-11(10)19-2)12(7-15)20-14(17)16/h5-6,16H,3-4H2,1-2H3
InChI Key:
NKOJJXLZHFCSHK-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCn1c2c(C#N)sc1=N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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