2-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
2-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
2-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0145 |
| Compound Name: | 2-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(c1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.768 |
| logD: | 2.4643 |
| logSw: | -3.6588 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.481 |
| InChI Key: | KFFTYAHVAPPVLW-UHFFFAOYSA-N |