ethyl {[5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
ethyl {[5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 6085-0121 |
| Compound Name: | ethyl {[5-cyano-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CCOC(CSc1c(C#N)c2CC(C)(C)OCc2c(n1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0556 |
| logD: | 4.0556 |
| logSw: | -4.1156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.57 |
| InChI Key: | KCMZODOVOPXPDX-UHFFFAOYSA-N |