2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-7588 |
| Compound Name: | 2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 501.38 |
| Molecular Formula: | C26 H21 Br N4 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cn(Cc3ccc(cc3)[Br])nc2c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0924 |
| logD: | 4.0924 |
| logSw: | -4.4606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.383 |
| InChI Key: | VUSQZOHRPYPIRE-QHCPKHFHSA-N |