N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | K400-08947 |
| Compound Name: | N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 594.69 |
| Molecular Formula: | C28 H27 F N6 O4 S2 |
| Smiles: | CN(C)S(c1ccc(cc1)C(NCc1nnc(n1c1ccc(cc1)F)SCC(N1CCc2ccccc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0597 |
| logD: | 3.0597 |
| logSw: | -3.6909 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.46 |
| InChI Key: | CGHKZQDDLMMCPJ-UHFFFAOYSA-N |