200,000+ products from a single source!
sales@angenechem.com
177954-78-8 | 2H-1,4-Benzodiazepin-2-one, 3-aMino-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-
CAS No: 177954-78-8 Catalog No: AG0025NJ MDL No:MFCD19105543
Product Description
Catalog Number:
AG0025NJ
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 3-aMino-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-
CAS Number:
177954-78-8
Molecular Formula:
C17H14F3N3O
Molecular Weight:
333.3078
MDL Number:
MFCD19105543
IUPAC Name:
3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C17H14F3N3O/c18-17(19,20)10-23-13-9-5-4-8-12(13)14(22-15(21)16(23)24)11-6-2-1-3-7-11/h1-9,15H,10,21H2
InChI Key:
MKYYPGUUZBYUOW-UHFFFAOYSA-N
SMILES:
O=C1C(N)N=C(c2c(N1CC(F)(F)F)cccc2)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.314g/mol
Monoisotopic Mass:
333.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.