4-[(4-bromophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-bromophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(4-bromophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | C159-0005 |
| Compound Name: | 4-[(4-bromophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 517.38 |
| Molecular Formula: | C27 H21 Br N2 O4 |
| Smiles: | CC1=C(C(C2=C(c3ccccc3OC2=O)O)c2ccc(cc2)[Br])C(N(c2ccccc2)N1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9716 |
| logD: | 1.1159 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.87 |
| InChI Key: | XWKVOCHVTCOYDR-HSZRJFAPSA-N |