N-[2-(4-methoxyphenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y042-5939 |
| Compound Name: | N-[2-(4-methoxyphenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C19 H19 N O5 |
| Smiles: | COc1ccc(cc1)C(CNC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9247 |
| logD: | 1.9247 |
| logSw: | -2.4804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.597 |
| InChI Key: | IUYHQBDBMYVMTR-UHFFFAOYSA-N |