methyl 4-[2-({2-[2-(3-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}amino)(oxo)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({2-[2-(3-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}amino)(oxo)acetamido]benzoate
methyl 4-[2-({2-[2-(3-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}amino)(oxo)acetamido]benzoate
Compound characteristics
| Compound ID: | G574-0477 |
| Compound Name: | methyl 4-[2-({2-[2-(3-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}amino)(oxo)acetamido]benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(C(NCCc1csc2nc(c3cccc(c3)F)nn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2325 |
| logD: | 2.1459 |
| logSw: | -3.6784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.234 |
| InChI Key: | CMUQEVIHAFMCSZ-UHFFFAOYSA-N |