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69484-91-9 | Naphtho[2',1':4,5]thiazolo[2,3-c][1,2,4]triazole,8-(4-methoxyphenyl)-
CAS No: 69484-91-9 Catalog No: AG005YB9 MDL No:
Product Description
Catalog Number:
AG005YB9
Chemical Name:
Naphtho[2',1':4,5]thiazolo[2,3-c][1,2,4]triazole,8-(4-methoxyphenyl)-
CAS Number:
69484-91-9
Molecular Formula:
C19H13N3OS
Molecular Weight:
331.3910
IUPAC Name:
12-(4-methoxyphenyl)-16-thia-11,13,14-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene
InChI:
InChI=1S/C19H13N3OS/c1-23-14-9-6-13(7-10-14)18-20-21-19-22(18)16-11-8-12-4-2-3-5-15(12)17(16)24-19/h2-11H,1H3
InChI Key:
HLIMLOCFQJDVDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc2n1c1ccc3c(c1s2)cccc3
UNII:
BIM3OQ585E
NSC Number:
322375
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.393g/mol
Monoisotopic Mass:
331.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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