N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2392 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C17 H16 Cl N O4 |
| Smiles: | COc1ccc(cc1NC(c1ccc2c(c1)OCCCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0029 |
| logD: | 2.9858 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.416 |
| InChI Key: | LAPRCLYFUAZYRI-UHFFFAOYSA-N |