N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(piperidine-1-sulfonyl)benzamide
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | K410-0902 |
| Compound Name: | N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C25 H28 N4 O5 S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc(cc1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3397 |
| logD: | 3.311 |
| logSw: | -3.8168 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.111 |
| InChI Key: | YZWUOBAQNKDXQQ-UHFFFAOYSA-N |