N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-methoxybenzamide
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | V003-5583 |
| Compound Name: | N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-methoxybenzamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C29 H30 N2 O4 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)OC)=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7369 |
| logD: | 5.7368 |
| logSw: | -5.4381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.991 |
| InChI Key: | JGEITFBSQDWELS-UHFFFAOYSA-N |