4,4'-[(5-methylthiophen-2-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-[(5-methylthiophen-2-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-[(5-methylthiophen-2-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 4896-3933 |
| Compound Name: | 4,4'-[(5-methylthiophen-2-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2ccc(C)s2)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5082 |
| logD: | 3.5082 |
| logSw: | -3.6692 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.078 |
| InChI Key: | DCKMIMBFLXFUSV-UHFFFAOYSA-N |