N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D473-2134 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(NCCC2CCCCC=2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7938 |
| logD: | 2.7938 |
| logSw: | -3.5898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.322 |
| InChI Key: | MBZKDMOMTIHFIH-LJQANCHMSA-N |