N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dimethylbenzamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | J031-2148 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dimethylbenzamide |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C19 H21 N O3 |
| Smiles: | Cc1ccc(cc1C)C(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1943 |
| logD: | 3.1943 |
| logSw: | -3.0913 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | VQMJIUHIEZNGSN-UHFFFAOYSA-N |