4-chloro-N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
Chemical Structure Depiction of
4-chloro-N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
4-chloro-N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
Compound characteristics
| Compound ID: | V003-5620 |
| Compound Name: | 4-chloro-N-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C28 H27 Cl N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)[Cl])=O)C1CCCc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3492 |
| logD: | 6.3477 |
| logSw: | -6.2077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.447 |
| InChI Key: | MHHWNZMYQQYORR-UHFFFAOYSA-N |