N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-9885 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 555.54 |
| Molecular Formula: | C28 H18 F N5 O5 S |
| Smiles: | Cc1cc2/C(=C\c3c[nH]nc3c3ccc(cc3)F)OC(c2c(n1)SCC(Nc1cc2c(cc1C#N)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.991 |
| logD: | 3.974 |
| logSw: | -4.3061 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.148 |
| InChI Key: | KNGCYWNADBCRPV-UHFFFAOYSA-N |