diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1118 |
| Compound Name: | diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 629.69 |
| Molecular Formula: | C28 H28 F N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2ccco2)=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9055 |
| logD: | 1.8725 |
| logSw: | -4.1289 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.617 |
| InChI Key: | XSJSOQKGRBKWAV-INIZCTEOSA-N |