4-{[1-(butan-2-yl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[1-(butan-2-yl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[1-(butan-2-yl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | V004-6187 |
| Compound Name: | 4-{[1-(butan-2-yl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCC(C)N1C(/C(=C\C2=C(C)N(C)N(C2=O)c2ccccc2)N(C)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.906 |
| logD: | 1.906 |
| logSw: | -2.2977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.672 |
| InChI Key: | WTUDPQLTXHNJKI-ZDUSSCGKSA-N |