4-{[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-1437 |
| Compound Name: | 4-{[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 478.24 |
| Molecular Formula: | C18 H15 I N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1cc(c(c(c1)I)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.208 |
| logD: | 1.4471 |
| logSw: | -3.5629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.307 |
| InChI Key: | ZKQJOXWIXQZOAQ-UHFFFAOYSA-N |