4-bromo-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-bromo-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0303 |
| Compound Name: | 4-bromo-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 466.74 |
| Molecular Formula: | C18 H13 Br Cl N3 O3 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1cccc(c1)[Cl])c2NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4655 |
| logD: | 3.2989 |
| logSw: | -3.9721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | HLMZMTDHAQEEHG-UHFFFAOYSA-N |