200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88016-45-9
88016-45-9 | 4H-Azepin-4-one, 2,3-dihydro-5-hydroxy-3,3-dimethyl-6,7-diphenyl-
CAS No: 88016-45-9 Catalog No: AG004GO2 MDL No:
Product Description
Catalog Number:
AG004GO2
Chemical Name:
4H-Azepin-4-one, 2,3-dihydro-5-hydroxy-3,3-dimethyl-6,7-diphenyl-
CAS Number:
88016-45-9
Molecular Formula:
C20H19NO2
Molecular Weight:
305.3704
IUPAC Name:
3,3-dimethyl-6,7-diphenyl-1,2-dihydroazepine-4,5-dione
InChI:
InChI=1S/C20H19NO2/c1-20(2)13-21-17(15-11-7-4-8-12-15)16(18(22)19(20)23)14-9-5-3-6-10-14/h3-12,21H,13H2,1-2H3
InChI Key:
SHCUHYDYFBMFBO-UHFFFAOYSA-N
SMILES:
OC1=C(c2ccccc2)C(=NCC(C1=O)(C)C)c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.377g/mol
Monoisotopic Mass:
305.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.