1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | IB07-4425 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(1-hydroxy-3-methylpentan-2-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CCC(C)C(CO)NC(c1cc(c2ccc(cc2)OC)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.88 |
| logD: | 1.88 |
| logSw: | -3.15 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 184.87 |
| InChI Key: | YUBUUOLJIKWQOF-UHFFFAOYSA-N |