4-(diethylsulfamoyl)-N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(diethylsulfamoyl)-N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(diethylsulfamoyl)-N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070604 |
| Compound Name: | 4-(diethylsulfamoyl)-N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 665.86 |
| Molecular Formula: | C31 H35 N7 O4 S3 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(NCc1nnc(n1C)SCC(N1C(CC(c2cccs2)=N1)c1ccc(C)cc1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2645 |
| logD: | 4.2645 |
| logSw: | -4.1004 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.447 |
| InChI Key: | OQNCBQZBBHNWNP-SANMLTNESA-N |