3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
Chemical Structure Depiction of
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
Compound characteristics
| Compound ID: | L831-0038 |
| Compound Name: | 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1,5-benzoxazepin-4(5H)-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | C(C1COc2ccccc2NC1=O)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0325 |
| logD: | 3.0323 |
| logSw: | -3.4846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.278 |
| InChI Key: | ULMNDOOMSVOTAV-HNNXBMFYSA-N |