N-(1-ethyl-2-methyl-1H-indol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(1-ethyl-2-methyl-1H-indol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(1-ethyl-2-methyl-1H-indol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0404 |
| Compound Name: | N-(1-ethyl-2-methyl-1H-indol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CCn1c(C)cc2cc(ccc12)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4741 |
| logD: | 3.4741 |
| logSw: | -3.4281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.905 |
| InChI Key: | YBSWANWLKRGZJK-UHFFFAOYSA-N |