N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylacetamide
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}-2-phenylacetamide
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylacetamide
Compound characteristics
| Compound ID: | V014-5690 |
| Compound Name: | N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylacetamide |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C25 H22 N2 O5 |
| Smiles: | C(C(Nc1ccc2c(CN(Cc3ccc4c(c3)OCO4)C(CO2)=O)c1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8815 |
| logD: | 2.8815 |
| logSw: | -3.2892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.57 |
| InChI Key: | HDCLCZZEGAZMQZ-UHFFFAOYSA-N |