2-(4-bromophenyl)-5-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromophenyl)-5-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-1655 |
| Compound Name: | 2-(4-bromophenyl)-5-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4611 |
| logD: | 5.4611 |
| logSw: | -5.5593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.538 |
| InChI Key: | ATUJNMFGKHUJEE-UHFFFAOYSA-N |