3-(2-fluorophenyl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-(2-fluorophenyl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide
3-(2-fluorophenyl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | J031-1151 |
| Compound Name: | 3-(2-fluorophenyl)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide |
| Molecular Weight: | 357.38 |
| Molecular Formula: | C20 H20 F N O4 |
| Smiles: | COc1cc2c(cc1CNC(/C=C/c1ccccc1F)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0053 |
| logD: | 3.0053 |
| logSw: | -3.2731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.223 |
| InChI Key: | KSEIPEDSBOFVRR-UHFFFAOYSA-N |