1,5-dimethyl-4-{[3-methyl-1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-{[3-methyl-1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-{[3-methyl-1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | V011-2119 |
| Compound Name: | 1,5-dimethyl-4-{[3-methyl-1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CC(C)CN1C(/C(=C\C2=C(C)N(C)N(C2=O)c2ccccc2)N(C)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0226 |
| logD: | 2.0226 |
| logSw: | -2.2309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.367 |
| InChI Key: | XLMCOKWGRFESQZ-UHFFFAOYSA-N |