N-(4-butoxyphenyl)-2-[1-(4-chlorophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
Chemical Structure Depiction of
N-(4-butoxyphenyl)-2-[1-(4-chlorophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
N-(4-butoxyphenyl)-2-[1-(4-chlorophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
Compound characteristics
| Compound ID: | Y501-3664 |
| Compound Name: | N-(4-butoxyphenyl)-2-[1-(4-chlorophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide |
| Molecular Weight: | 606.12 |
| Molecular Formula: | C31 H29 Cl F N5 O3 S |
| Smiles: | CCCCOc1ccc(cc1)NC(CC1C(N(C(N1c1cnn(Cc2ccc(cc2)F)c1)=S)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5152 |
| logD: | 5.5152 |
| logSw: | -5.8008 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.709 |
| InChI Key: | AYLRIFMDTSMDQG-MUUNZHRXSA-N |