N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0579 |
| Compound Name: | N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C18 H13 F N4 O5 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)F)c2NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7149 |
| logD: | 1.2772 |
| logSw: | -2.7374 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.782 |
| InChI Key: | VPDSGEHHTPNDNO-UHFFFAOYSA-N |