N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide
N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K410-0107 |
| Compound Name: | N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2135 |
| logD: | 4.21 |
| logSw: | -4.3532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.434 |
| InChI Key: | CWJBVRRZTNYGMW-UHFFFAOYSA-N |