N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Compound characteristics
| Compound ID: | J031-1110 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | C1COc2ccc(CNC(C(c3c[nH]c4ccccc34)=O)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3983 |
| logD: | 2.3983 |
| logSw: | -3.039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.415 |
| InChI Key: | KUPWMGVTUZWGCA-UHFFFAOYSA-N |