N-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1849 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 317.77 |
| Molecular Formula: | C17 H16 Cl N O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc2c(c1)OCCCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2072 |
| logD: | 3.2061 |
| logSw: | -3.4512 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.786 |
| InChI Key: | DEFWQPJXQCQZIM-UHFFFAOYSA-N |