4-{[1-(2,4-dinitroanilino)-5-(4-methoxyphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[1-(2,4-dinitroanilino)-5-(4-methoxyphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[1-(2,4-dinitroanilino)-5-(4-methoxyphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8013-3725 |
| Compound Name: | 4-{[1-(2,4-dinitroanilino)-5-(4-methoxyphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 569.53 |
| Molecular Formula: | C28 H23 N7 O7 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C1/C=C(c2ccc(cc2)OC)N(C1=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9471 |
| logD: | 3.9471 |
| logSw: | -4.1869 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.313 |
| InChI Key: | YJZPVXSABGSLOM-UHFFFAOYSA-N |