[Synonyms]
[Structure]

[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-bromo-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
Canonical SMILES: C1COCCN1C(=O)C(=CC=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br
InChI: InChI=1/C22H21BrN2O3/c23-19-11-5-4-10-18(19)21(26)24-20(22(27)25-13-15-
28-16-14-25)12-6-9-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)/f/h24H
[Structure]

[ Properties Computed from Structure]
Molecular Weight | 441.31774 [g/mol] |
Molecular Formula | C22H21BrN2O3 |
XLogP | 4 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotatable Bond Count | 5 |
Tautomer Count | 3 |
Exact Mass | 440.073555 |
MonoIsotopic Mass | 440.073555 |
Topological Polar Surface Area | 58.6 |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 593 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 2 |
Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2-bromo-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
Canonical SMILES: C1COCCN1C(=O)C(=CC=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br
InChI: InChI=1/C22H21BrN2O3/c23-19-11-5-4-10-18(19)21(26)24-20(22(27)25-13-15-
28-16-14-25)12-6-9-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)/f/h24H