2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2042 |
| Compound Name: | 2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 255.7 |
| Molecular Formula: | C12 H14 Cl N O3 |
| Smiles: | C1COc2ccc(CNC(C[Cl])=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 1.0749 |
| logD: | 1.0749 |
| logSw: | -1.9971 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.864 |
| InChI Key: | COJBQRKFDSJNTK-UHFFFAOYSA-N |