Name: Name:4-nitro-N-[3-oxo-3-(4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-1-yl)propyl]benzamide
Brand: Angene
SKU: AG01ALWE
Rating: 90 (10 reviews)

4-nitro-N-[3-oxo-3-(4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-1-yl)propyl]benzamide

CAS No.:

1795507-47-9

Catalog Number:

AG01ALWE

Molecular Formula:

C22H23F3N4O5

Molecular Weight:

480.4370

Catalog Number:

AG01ALWE

Chemical Name:

4-nitro-N-[3-oxo-3-(4-{[4-(trifluoromethoxy)phenyl]methyl}piperazin-1-yl)propyl]benzamide

CAS Number:

1795507-47-9

Molecular Formula:

C22H23F3N4O5

Molecular Weight:

480.4370

MDL Number:

MFCD28968280

IUPAC Name:

4-nitro-N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]benzamide

InChI:

InChI=1S/C22H23F3N4O5/c23-22(24,25)34-19-7-1-16(2-8-19)15-27-11-13-28(14-12-27)20(30)9-10-26-21(31)17-3-5-18(6-4-17)29(32)33/h1-8H,9-15H2,(H,26,31)

InChI Key:

QTRAJPOGQSDPQX-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)Cc1ccc(cc1)OC(F)(F)F)CCNC(=O)c1ccc(cc1)[N+](=O)[O-]

Complexity:

694

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

480.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

480.444g/mol

Monoisotopic Mass:

480.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9