N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
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]-3-methylbutanamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | K410-0369 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide |
| Molecular Weight: | 367.85 |
| Molecular Formula: | C16 H18 Cl N3 O3 S |
| Smiles: | CC(C)CC(Nc1c2CS(Cc2nn1c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4085 |
| logD: | 2.4082 |
| logSw: | -3.2987 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.759 |
| InChI Key: | MFLVSRFDQIHFHI-UHFFFAOYSA-N |