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88447-17-0 | 3H-Pyrano[2,3-c]isoquinolin-3-one, 2-(2-benzothiazolyl)-6-phenyl-
CAS No: 88447-17-0 Catalog No: AG008CNL MDL No:
Product Description
Catalog Number:
AG008CNL
Chemical Name:
3H-Pyrano[2,3-c]isoquinolin-3-one, 2-(2-benzothiazolyl)-6-phenyl-
CAS Number:
88447-17-0
Molecular Formula:
C25H14N2O2S
Molecular Weight:
406.4559
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-6-phenylpyrano[2,3-c]isoquinolin-3-one
InChI:
InChI=1S/C25H14N2O2S/c28-25-19(24-26-20-12-6-7-13-21(20)30-24)14-18-16-10-4-5-11-17(16)22(27-23(18)29-25)15-8-2-1-3-9-15/h1-14H
InChI Key:
IOGCHLFWSYZCLQ-UHFFFAOYSA-N
SMILES:
O=c1oc2nc(c3ccccc3)c3c(c2cc1c1nc2c(s1)cccc2)cccc3
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.078g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.459g/mol
Monoisotopic Mass:
406.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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