propan-2-yl 4-(4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
propan-2-yl 4-(4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0353 |
| Compound Name: | propan-2-yl 4-(4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C25 H21 Cl N2 O4 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3)[Cl])o2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0669 |
| logD: | 6.0669 |
| logSw: | -6.3128 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.589 |
| InChI Key: | KOJRGVYMXUKPKZ-UHFFFAOYSA-N |