4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-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-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-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-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-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: | A0070606 |
| Compound Name: | 4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-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: | 669.82 |
| Molecular Formula: | C30 H32 F N7 O4 S3 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(NCc1nnc(n1C)SCC(N1C(CC(c2cccs2)=N1)c1ccc(cc1)F)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8702 |
| logD: | 3.8702 |
| logSw: | -3.9686 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.447 |
| InChI Key: | BATOIUYZWQMQNO-VWLOTQADSA-N |