N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K410-0429 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | COc1ccc(CC(Nc2c3CS(Cc3nn2c2ccc(cc2)[Cl])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4815 |
| logD: | 2.4812 |
| logSw: | -3.3141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.032 |
| InChI Key: | BXSLBDGORQXXOA-UHFFFAOYSA-N |