2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
Compound characteristics
| Compound ID: | K410-0097 |
| Compound Name: | 2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1182 |
| logD: | 2.1173 |
| logSw: | -2.6737 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.672 |
| InChI Key: | PDTFWZGSSLLDFW-UHFFFAOYSA-N |