2-(3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1287 |
| Compound Name: | 2-(3-cyano-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C21 H19 N3 O3 |
| Smiles: | C1COc2ccc(CNC(Cn3cc(C#N)c4ccccc34)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1858 |
| logD: | 2.1858 |
| logSw: | -2.965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.652 |
| InChI Key: | PURQTLBRVGNSLG-UHFFFAOYSA-N |