4-{[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1521-0147 |
| Compound Name: | 4-{[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 431.24 |
| Molecular Formula: | C18 H15 Br N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1cc(cc(c1O)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1457 |
| logD: | 1.361 |
| logSw: | -3.3821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.608 |
| InChI Key: | ITGXWRKHOXBWKE-UHFFFAOYSA-N |