2-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-1769 |
| Compound Name: | 2-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 486.71 |
| Molecular Formula: | C21 H13 Br Cl N3 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)C(N(c2cccc(c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9244 |
| logD: | 5.9243 |
| logSw: | -6.1722 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.538 |
| InChI Key: | PAHREZAZMDCWGR-UHFFFAOYSA-N |