N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | A0070737 |
| Compound Name: | N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 659.54 |
| Molecular Formula: | C31 H24 Br F N6 O3 S |
| Smiles: | C1C(c2ccc(cc2)F)N(C(CSc2nnc(CNC(c3ccco3)=O)n2c2ccccc2)=O)N=C1c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5505 |
| logD: | 5.5505 |
| logSw: | -5.9211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.572 |
| InChI Key: | BJKMJGJLNGOGPA-AREMUKBSSA-N |