N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | A0070615 |
| Compound Name: | N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 683.83 |
| Molecular Formula: | C30 H33 N7 O6 S3 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1C)SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1383 |
| logD: | 3.1383 |
| logSw: | -3.526 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.362 |
| InChI Key: | ACILXHMXYQOUKH-QHCPKHFHSA-N |