N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | A0070424 |
| Compound Name: | N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide |
| Molecular Weight: | 695.73 |
| Molecular Formula: | C35 H30 F N7 O6 S |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)F)N(C(CSc2nnc(CNC(c3cccc(c3)OC)=O)n2c2ccc(cc2)[N+]([O-])=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6518 |
| logD: | 5.6518 |
| logSw: | -5.5183 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.463 |
| InChI Key: | LWQGRPDXMZQYJG-HKBQPEDESA-N |