N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | V028-8055 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-fluorobenzamide |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C24 H19 F N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1Cc2cc(ccc2OCC1=O)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1154 |
| logD: | 3.114 |
| logSw: | -3.3009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.784 |
| InChI Key: | GVNVUINVNIHPQQ-UHFFFAOYSA-N |