N-{[4-(3-chlorophenyl)-5-({2-[5-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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: | A0070230 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-({2-[5-(2,3-dimethoxyphenyl)-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: | 691.2 |
| Molecular Formula: | C33 H28 Cl F N6 O4 S2 |
| Smiles: | COc1cccc(C2CC(c3cccs3)=NN2C(CSc2nnc(CNC(c3ccccc3F)=O)n2c2cccc(c2)[Cl])=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2627 |
| logD: | 6.2626 |
| logSw: | -6.0971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.36 |
| InChI Key: | UUKKYTBHZCPSCR-SANMLTNESA-N |