5-bromo-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
5-bromo-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | K410-0833 |
| Compound Name: | 5-bromo-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide |
| Molecular Weight: | 450.31 |
| Molecular Formula: | C18 H16 Br N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3797 |
| logD: | 3.1973 |
| logSw: | -3.8845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.326 |
| InChI Key: | JFRRQIHPSSOMSS-UHFFFAOYSA-N |