N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(thiophen-2-yl)acetamide
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]-2-(thiophen-2-yl)acetamide
N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | V003-5680 |
| 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]-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(Cc1cccs1)=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1672 |
| logD: | 5.1672 |
| logSw: | -4.9802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.252 |
| InChI Key: | WQCAUHIGVLROIM-UHFFFAOYSA-N |