N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide
Compound characteristics
| Compound ID: | J031-1281 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-2-methyl-1H-indol-1-yl)acetamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C22 H22 N2 O4 |
| Smiles: | Cc1c(C=O)c2ccccc2n1CC(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4558 |
| logD: | 2.4558 |
| logSw: | -2.9019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.224 |
| InChI Key: | MWDJLYIVMZURSB-UHFFFAOYSA-N |