2-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
2-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0659 |
| Compound Name: | 2-bromo-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C19 H16 Br N3 O4 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2888 |
| logD: | 2.2661 |
| logSw: | -3.0336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.245 |
| InChI Key: | NKTGXTIMYNBFFY-UHFFFAOYSA-N |