4,4'-[(2-chloro-6-fluorophenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Chemical Structure Depiction of
4,4'-[(2-chloro-6-fluorophenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
4,4'-[(2-chloro-6-fluorophenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Compound characteristics
| Compound ID: | Y509-0181 |
| Compound Name: | 4,4'-[(2-chloro-6-fluorophenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one] |
| Molecular Weight: | 603.1 |
| Molecular Formula: | C29 H20 Cl F N6 O2 S2 |
| Smiles: | CC1=C(C(C2=C(C)NN(C2=O)c2nc3ccccc3s2)c2c(cccc2[Cl])F)C(N(c2nc3ccccc3s2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2516 |
| logD: | 6.2367 |
| logSw: | -6.1331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.068 |
| InChI Key: | DDHKHSQKRGFJJI-UHFFFAOYSA-N |