N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2389 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C17 H16 Cl N O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0624 |
| logD: | 3.0611 |
| logSw: | -3.5179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | ZGRDYELRIAQBSY-UHFFFAOYSA-N |