Name: Name:4-nitro-N-[3-oxo-3-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)propyl]benzamide
Brand: Angene
SKU: AG01ALVQ
Rating: 90 (10 reviews)

4-nitro-N-[3-oxo-3-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)propyl]benzamide

CAS No.:

1687763-82-1

Catalog Number:

AG01ALVQ

Molecular Formula:

C24H30N4O4

Molecular Weight:

438.5194

Catalog Number:

AG01ALVQ

Chemical Name:

4-nitro-N-[3-oxo-3-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)propyl]benzamide

CAS Number:

1687763-82-1

Molecular Formula:

C24H30N4O4

Molecular Weight:

438.5194

MDL Number:

MFCD28968270

IUPAC Name:

4-nitro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide

InChI:

InChI=1S/C24H30N4O4/c1-18(2)20-5-3-19(4-6-20)17-26-13-15-27(16-14-26)23(29)11-12-25-24(30)21-7-9-22(10-8-21)28(31)32/h3-10,18H,11-17H2,1-2H3,(H,25,30)

InChI Key:

XVWYOVZBAQXOER-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)CN1CCN(CC1)C(=O)CCNC(=O)c1ccc(cc1)[N+](=O)[O-])C

Complexity:

626

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

438.227g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

438.528g/mol

Monoisotopic Mass:

438.227g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9