N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
Chemical Structure Depiction of
N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide
Compound characteristics
| Compound ID: | V028-7656 |
| Compound Name: | N-{4-[1-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}quinoxaline-2-carboxamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C26 H21 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(c1ccc(cc1)F)N1Cc2cc(ccc2OCC1=O)NC(c1cnc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.09 |
| logD: | 4.0895 |
| logSw: | -4.121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.63 |
| InChI Key: | CWIAQQCWKXJLTA-INIZCTEOSA-N |