N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | K410-0358 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 521.01 |
| Molecular Formula: | C22 H21 Cl N4 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3984 |
| logD: | 2.3294 |
| logSw: | -3.4868 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.778 |
| InChI Key: | VGADICJYNBGELC-UHFFFAOYSA-N |