2-(3-cyano-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3-cyano-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(3-cyano-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1982 |
| Compound Name: | 2-(3-cyano-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | Cc1cc2c(cc1CNC(Cn1cc(C#N)c3ccccc13)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.5051 |
| logD: | 2.5051 |
| logSw: | -2.8822 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.652 |
| InChI Key: | XBABXSUWKWVTPS-UHFFFAOYSA-N |