N-(4-butylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-butylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1914 |
| Compound Name: | N-(4-butylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 339.43 |
| Molecular Formula: | C21 H25 N O3 |
| Smiles: | CCCCc1ccc(cc1)NC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8458 |
| logD: | 4.8458 |
| logSw: | -4.6342 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.484 |
| InChI Key: | TWXJPFINWPKKCS-UHFFFAOYSA-N |