methyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate
methyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | D396-0184 |
| Compound Name: | methyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}propanoate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CC(C(=O)OC)Sc1c(C#N)c2CC(C)(C)OCc2c(n1)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.466 |
| logD: | 3.466 |
| logSw: | -3.9106 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.127 |
| InChI Key: | UPEBRRSYMVKFNF-LBPRGKRZSA-N |