2-(3-cyano-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
Chemical Structure Depiction of
2-(3-cyano-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
2-(3-cyano-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
Compound characteristics
| Compound ID: | J031-1296 |
| Compound Name: | 2-(3-cyano-2-methyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CC(C)C(c1ccc2c(c1)OCCCO2)NC(Cn1c(C)c(C#N)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8247 |
| logD: | 3.8247 |
| logSw: | -4.2287 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.473 |
| InChI Key: | PNSBLXGTAGNRGC-VWLOTQADSA-N |