2-[3-{3-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[3-{3-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
2-[3-{3-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-2031 |
| Compound Name: | 2-[3-{3-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 629.58 |
| Molecular Formula: | C27 H25 F6 N5 O4 S |
| Smiles: | COc1ccc(cc1)NC(CC1C(N(C(N1CCCn1c(cc(C(F)(F)F)n1)C(F)(F)F)=S)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0502 |
| logD: | 4.0502 |
| logSw: | -4.2096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.671 |
| InChI Key: | SBBGEZKQWVHMMC-HXUWFJFHSA-N |