N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-[(propan-2-yl)oxy]benzamide
Chemical Structure Depiction of
N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-[(propan-2-yl)oxy]benzamide
N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-[(propan-2-yl)oxy]benzamide
Compound characteristics
| Compound ID: | K410-0495 |
| Compound Name: | N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-[(propan-2-yl)oxy]benzamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C21 H20 N4 O6 S |
| Smiles: | CC(C)Oc1ccc(cc1)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5893 |
| logD: | 2.588 |
| logSw: | -3.114 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.885 |
| InChI Key: | OHFWVFSRNRNTEI-UHFFFAOYSA-N |