2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1299 |
| Compound Name: | 2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C21 H18 Br N3 O3 |
| Smiles: | C1COc2ccc(CNC(Cn3cc(C#N)c4cc(ccc34)[Br])=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0024 |
| logD: | 3.0024 |
| logSw: | -3.2444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.652 |
| InChI Key: | PVDBSSGLDSXSDN-UHFFFAOYSA-N |