N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0469 |
| Compound Name: | N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C18 H19 N O3 |
| Smiles: | CC(c1ccccc1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4773 |
| logD: | 2.4773 |
| logSw: | -3.0343 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.969 |
| InChI Key: | OTQRKDKYVJPMDL-ZDUSSCGKSA-N |