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115685-07-9 | 1,3-Benzodioxole-5-carboxamide, 7-hydroxy-2,2-diphenyl-N-propyl-
CAS No: 115685-07-9 Catalog No: AG000GRJ MDL No:
Product Description
Catalog Number:
AG000GRJ
Chemical Name:
1,3-Benzodioxole-5-carboxamide, 7-hydroxy-2,2-diphenyl-N-propyl-
CAS Number:
115685-07-9
Molecular Formula:
C23H21NO4
Molecular Weight:
375.4171
IUPAC Name:
7-hydroxy-2,2-diphenyl-N-propyl-1,3-benzodioxole-5-carboxamide
InChI:
InChI=1S/C23H21NO4/c1-2-13-24-22(26)16-14-19(25)21-20(15-16)27-23(28-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14-15,25H,2,13H2,1H3,(H,24,26)
InChI Key:
AQCYTCAXXDZJMJ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc2OC(Oc2c(c1)O)(c1ccccc1)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.424g/mol
Monoisotopic Mass:
375.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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