4-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0475 |
| Compound Name: | 4-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 432.84 |
| Molecular Formula: | C18 H13 Cl N4 O5 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)[N+]([O-])=O)c2NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5175 |
| logD: | 2.4948 |
| logSw: | -3.429 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.083 |
| InChI Key: | XJTDFGNYQYYLQE-UHFFFAOYSA-N |