4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid--hydrogen chloride (1/1)
4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8001-7376 |
| Compound Name: | 4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 545.04 |
| Molecular Formula: | C30 H28 N4 O4 |
| Salt: | HCl |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2ccc(cc2)C(O)=O)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9427 |
| logD: | -0.0288 |
| logSw: | -3.1691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.468 |
| InChI Key: | YHOHZVJKBLEQRM-UHFFFAOYSA-N |