N-[2-(1H-indol-3-yl)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-(1H-indol-3-yl)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0537 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | Cc1cc2c(cc1C(NCCc1c[nH]c3ccccc13)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.1251 |
| logD: | 3.1251 |
| logSw: | -3.1696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.518 |
| InChI Key: | TWNJEINCZQBYMG-UHFFFAOYSA-N |