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81259-85-0 | 2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(dibutylamino)-
CAS No: 81259-85-0 Catalog No: AG004Z4O MDL No:
Product Description
Catalog Number:
AG004Z4O
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(dibutylamino)-
CAS Number:
81259-85-0
Molecular Formula:
C24H26N2O2S
Molecular Weight:
406.5404
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-7-(dibutylamino)chromen-2-one
InChI:
InChI=1S/C24H26N2O2S/c1-3-5-13-26(14-6-4-2)18-12-11-17-15-19(24(27)28-21(17)16-18)23-25-20-9-7-8-10-22(20)29-23/h7-12,15-16H,3-6,13-14H2,1-2H3
InChI Key:
PXWDUDKMXGXKDP-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2)CCCC
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.171g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.544g/mol
Monoisotopic Mass:
406.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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