2-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
2-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0593 |
| Compound Name: | 2-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide |
| Molecular Weight: | 450.83 |
| Molecular Formula: | C18 H12 Cl F N4 O5 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)F)c2NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4984 |
| logD: | 2.2582 |
| logSw: | -3.6912 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.083 |
| InChI Key: | BMEDPVQVXADOCA-UHFFFAOYSA-N |