4-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
4-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0597 |
| Compound Name: | 4-chloro-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 450.83 |
| Molecular Formula: | C18 H12 Cl F N4 O5 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)F)c2NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2413 |
| logD: | 2.0011 |
| logSw: | -3.4088 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.782 |
| InChI Key: | YYZBOCUBBFIPFU-UHFFFAOYSA-N |