2-(4-bromophenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromophenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3033-1437 |
| Compound Name: | 2-(4-bromophenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 463.29 |
| Molecular Formula: | C23 H15 Br N2 O4 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4COC(c4c3)=O)o2)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8891 |
| logD: | 4.8891 |
| logSw: | -4.7357 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.729 |
| InChI Key: | YLGNVBPLTPWPJY-UHFFFAOYSA-N |