6-chloro-2-(4-ethylphenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,4-dihydro[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-chloro-2-(4-ethylphenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,4-dihydro[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
6-chloro-2-(4-ethylphenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,4-dihydro[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | C201-0809 |
| Compound Name: | 6-chloro-2-(4-ethylphenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,4-dihydro[1]benzopyrano[2,3-c]pyrazol-3(2H)-one |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C30 H28 Cl F N4 O3 |
| Smiles: | CCc1ccc(cc1)N1C(C2Cc3cc(ccc3OC=2N1CC(N1CCN(CC1)c1ccccc1F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5932 |
| logD: | 5.5932 |
| logSw: | -5.8017 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.678 |
| InChI Key: | NHXQKEQLPDWERE-UHFFFAOYSA-N |