N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
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-nitrobenzamide
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V003-5644 |
| 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-nitrobenzamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6801 |
| logD: | 5.6799 |
| logSw: | -5.4518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.829 |
| InChI Key: | VLWQLUXXXVROQR-UHFFFAOYSA-N |