N-(4-chlorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-chlorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0622 |
| Compound Name: | N-(4-chlorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C17 H16 Cl N O4 |
| Smiles: | COc1cc2c(cc1C(Nc1ccc(cc1)[Cl])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3545 |
| logD: | 3.3447 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | XAYWCBYRGPGMHZ-UHFFFAOYSA-N |