6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8640-0535 |
| Compound Name: | 6-(benzylamino)-8-butyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 349.47 |
| Molecular Formula: | C22 H27 N3 O |
| Smiles: | CCCCc1c2COC(C)(C)Cc2c(C#N)c(NCc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2727 |
| logD: | 5.2727 |
| logSw: | -5.2592 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.668 |
| InChI Key: | JBLYTERERKDYNI-UHFFFAOYSA-N |