prop-2-en-1-yl 5-(5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Chemical Structure Depiction of
prop-2-en-1-yl 5-(5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
prop-2-en-1-yl 5-(5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | 2083-1671 |
| Compound Name: | prop-2-en-1-yl 5-(5-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate |
| Molecular Weight: | 525.79 |
| Molecular Formula: | C25 H18 Br Cl N2 O4 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(c(c3)C(=O)OCC=C)[Cl])o2)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7165 |
| logD: | 6.7165 |
| logSw: | -6.3999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.204 |
| InChI Key: | ZPWOMKSJEKZMHA-UHFFFAOYSA-N |