1-ethyl-3-{[4-(3-fluoro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Chemical Structure Depiction of
1-ethyl-3-{[4-(3-fluoro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
1-ethyl-3-{[4-(3-fluoro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Compound characteristics
| Compound ID: | SC19-0494 |
| Compound Name: | 1-ethyl-3-{[4-(3-fluoro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C20 H27 F N4 O3 S |
| Smiles: | CCn1c2CCOCc2c(CN2CCN(CC2)S(c2ccc(C)c(c2)F)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7629 |
| logD: | -0.504 |
| logSw: | -2.5445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.769 |
| InChI Key: | YRQHXKUMHJIPFL-UHFFFAOYSA-N |