4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]phenyl 4-bromobenzoate
4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8005-6381 |
| Compound Name: | 4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]phenyl 4-bromobenzoate |
| Molecular Weight: | 663.57 |
| Molecular Formula: | C36 H31 Br N4 O4 |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2ccc(cc2)OC(c2ccc(cc2)[Br])=O)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0278 |
| logD: | 5.0278 |
| logSw: | -4.788 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.438 |
| InChI Key: | ORFGTSUUAUCXGV-UHFFFAOYSA-N |