6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 4850-0277 |
| Compound Name: | 6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 464.41 |
| Molecular Formula: | C22 H23 Cl2 N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc(c2C#N)SCc1ccc(c(c1)[Cl])[Cl])N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0215 |
| logD: | 6.0215 |
| logSw: | -6.3825 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.682 |
| InChI Key: | HDRPUNVOYAWIPB-UHFFFAOYSA-N |