N-{[4-(3-chlorophenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(3-chlorophenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | A0070744 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 641.15 |
| Molecular Formula: | C33 H29 Cl N6 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C(CSc1nnc(CNC(c2ccco2)=O)n1c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8237 |
| logD: | 5.8236 |
| logSw: | -6.1767 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.116 |
| InChI Key: | SQPIDUUAOQFADS-NDEPHWFRSA-N |