N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-fluorobenzamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | J031-1047 |
| Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-fluorobenzamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C20 H22 F N O3 |
| Smiles: | CC(C)C(c1ccc2c(c1)OCCCO2)NC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6138 |
| logD: | 3.6138 |
| logSw: | -3.7077 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.158 |
| InChI Key: | DVHAYIINGNHFII-IBGZPJMESA-N |