N-[4-(butan-2-yl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3,4-dichlorobenzamide
Chemical Structure Depiction of
N-[4-(butan-2-yl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3,4-dichlorobenzamide
N-[4-(butan-2-yl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3,4-dichlorobenzamide
Compound characteristics
| Compound ID: | V010-7555 |
| Compound Name: | N-[4-(butan-2-yl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3,4-dichlorobenzamide |
| Molecular Weight: | 435.35 |
| Molecular Formula: | C22 H24 Cl2 N2 O3 |
| Smiles: | CCC(C)N1Cc2cc(ccc2OC(CC)C1=O)NC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7326 |
| logD: | 5.7209 |
| logSw: | -6.0731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.609 |
| InChI Key: | JAJABULBUGRUER-UHFFFAOYSA-N |