N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-1H-indol-1-yl)acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-1H-indol-1-yl)acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-1H-indol-1-yl)acetamide
Compound characteristics
| Compound ID: | J031-1275 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(3-formyl-1H-indol-1-yl)acetamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | C1COc2ccc(CNC(Cn3cc(C=O)c4ccccc34)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0413 |
| logD: | 2.0413 |
| logSw: | -2.9466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.755 |
| InChI Key: | GSZQLAUHVFSJNU-UHFFFAOYSA-N |