N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0054 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C20 H20 Cl N3 O3 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(NCCc2ccc(cc2)[Cl])=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6997 |
| logD: | 2.6997 |
| logSw: | -3.6792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.605 |
| InChI Key: | SIIISKQWSIOFFO-INIZCTEOSA-N |