2-fluoro-N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
2-fluoro-N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
2-fluoro-N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070237 |
| Compound Name: | 2-fluoro-N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 644.72 |
| Molecular Formula: | C32 H26 F2 N6 O3 S2 |
| Smiles: | COc1ccccc1n1c(CNC(c2ccccc2F)=O)nnc1SCC(N1C(CC(c2cccs2)=N1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5761 |
| logD: | 5.5761 |
| logSw: | -5.4806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.342 |
| InChI Key: | YKEJGQLTQHHOSN-AREMUKBSSA-N |