3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8113-0064 |
| Compound Name: | 3,3-dimethyl-8-(morpholin-4-yl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc(c2C#N)SCC(c1ccc(cc1)[N+]([O-])=O)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1552 |
| logD: | 4.1552 |
| logSw: | -4.4713 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.31 |
| InChI Key: | BPCPULMWDZDQSV-UHFFFAOYSA-N |