[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
