4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0070613 |
| Compound Name: | 4-(dimethylsulfamoyl)-N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 653.8 |
| Molecular Formula: | C29 H31 N7 O5 S3 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1C)SCC(N1C(CC(c2cccs2)=N1)c1ccc(cc1)OC)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.237 |
| logD: | 3.237 |
| logSw: | -3.6107 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.558 |
| InChI Key: | LOXJFWBQRMNEOW-DEOSSOPVSA-N |