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72102-92-2 | 3-(Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2-benzopyrone
CAS No: 72102-92-2 Catalog No: AG005K85 MDL No:
Product Description
Catalog Number:
AG005K85
Chemical Name:
3-(Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2-benzopyrone
CAS Number:
72102-92-2
Molecular Formula:
C21H20N2O2S
Molecular Weight:
364.4607
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one
InChI:
InChI=1S/C21H20N2O2S/c1-4-23(5-2)14-10-11-15-13(3)19(21(24)25-17(15)12-14)20-22-16-8-6-7-9-18(16)26-20/h6-12H,4-5H2,1-3H3
InChI Key:
JSMSNRWNQKNTOW-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2C)c1nc2c(s1)cccc2)CC
EC Number:
276-346-3
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.463g/mol
Monoisotopic Mass:
364.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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