N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-cyclohexylpropanamide
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]-3-cyclohexylpropanamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-cyclohexylpropanamide
Compound characteristics
| Compound ID: | K410-0288 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-cyclohexylpropanamide |
| Molecular Weight: | 421.94 |
| Molecular Formula: | C20 H24 Cl N3 O3 S |
| Smiles: | C1CCC(CC1)CCC(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8084 |
| logD: | 3.8072 |
| logSw: | -4.2839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.68 |
| InChI Key: | MQTOWTVHPKTCRK-UHFFFAOYSA-N |