8-butyl-6-[2-(4-chlorophenyl)-2-oxoethoxy]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
8-butyl-6-[2-(4-chlorophenyl)-2-oxoethoxy]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
8-butyl-6-[2-(4-chlorophenyl)-2-oxoethoxy]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 5120-0426 |
| Compound Name: | 8-butyl-6-[2-(4-chlorophenyl)-2-oxoethoxy]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | CCCCc1c2COC(C)(C)Cc2c(C#N)c(n1)OCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7414 |
| logD: | 5.7414 |
| logSw: | -6.0868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.026 |
| InChI Key: | TUEDFNUBEUXKNR-UHFFFAOYSA-N |