N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1829 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)OCCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2001 |
| logD: | 2.2001 |
| logSw: | -2.7292 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.35 |
| InChI Key: | XWNBOGSKXJHGII-UHFFFAOYSA-N |