N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1437 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CC(C)(C)C(c1cn(CC(NCc2ccc3c(c2)OCCCO3)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6209 |
| logD: | 3.6209 |
| logSw: | -3.6825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.335 |
| InChI Key: | VLSPWBBAPCLIOY-UHFFFAOYSA-N |