N-{[4-(4-fluorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(4-fluorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070144 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 614.7 |
| Molecular Formula: | C31 H24 F2 N6 O2 S2 |
| Smiles: | C1C(c2ccc(cc2)F)N(C(CSc2nnc(CNC(c3ccccc3)=O)n2c2ccc(cc2)F)=O)N=C1c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4426 |
| logD: | 5.4426 |
| logSw: | -5.7546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.012 |
| InChI Key: | UVEIAAQBBJOQQT-AREMUKBSSA-N |