N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | A0070229 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide |
| Molecular Weight: | 661.18 |
| Molecular Formula: | C32 H26 Cl F N6 O3 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccccc2F)=O)n1c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3614 |
| logD: | 6.3613 |
| logSw: | -6.3198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.556 |
| InChI Key: | AUKKQHRJWOIMTA-MHZLTWQESA-N |