2-fluoro-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
2-fluoro-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
2-fluoro-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
Compound ID: | A0070241 |
Compound Name: | 2-fluoro-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
Molecular Weight: | 655.73 |
Molecular Formula: | C32 H26 F N7 O4 S2 |
Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccccc2F)=O)n1c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1193 |
logD: | 6.1192 |
logSw: | -5.544 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 111.394 |
InChI Key: | WRIWFRNQHOZKRZ-HHHXNRCGSA-N |