N-(3-fluorophenyl)-2-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]hydrazine-1-carbothioamide
N-(3-fluorophenyl)-2-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K048-0030 |
| Compound Name: | N-(3-fluorophenyl)-2-[(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C20 H21 F N4 O S |
| Smiles: | C1Cc2cc(/C=N/NC(Nc3cccc(c3)F)=S)c(c3CCCN(C1)c23)O |
| Stereo: | ACHIRAL |
| logP: | 4.8629 |
| logD: | 4.8531 |
| logSw: | -4.6081 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 50.647 |
| InChI Key: | YOPXRXPRSHCHNI-UHFFFAOYSA-N |