5-bromo-N-[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
5-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | K410-0651 |
| Compound Name: | 5-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide |
| Molecular Weight: | 452.28 |
| Molecular Formula: | C17 H14 Br N3 O5 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1168 |
| logD: | 2.0557 |
| logSw: | -2.8414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.171 |
| InChI Key: | OMRYFBNSMPFWES-UHFFFAOYSA-N |