2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-bromobenzoate
Chemical Structure Depiction of
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-bromobenzoate
2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-bromobenzoate
Compound characteristics
| Compound ID: | 8010-2921 |
| Compound Name: | 2-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-bromobenzoate |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C24 H17 Br N2 O3 |
| Smiles: | CC1/C(=C\c2ccccc2OC(c2ccccc2[Br])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9855 |
| logD: | 4.9855 |
| logSw: | -4.7838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.051 |
| InChI Key: | LSMVRAPYHRKNJV-UHFFFAOYSA-N |