N-(3-chloro-4-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-chloro-4-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1948 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C18 H18 Cl N O4 |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.15 |
| logD: | 4.1345 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | IEFYVXXKGSUYAU-UHFFFAOYSA-N |