methyl 5-carbamoyl-2-(2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}acetamido)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-carbamoyl-2-(2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}acetamido)-4-methylthiophene-3-carboxylate
methyl 5-carbamoyl-2-(2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}acetamido)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6240 |
| Compound Name: | methyl 5-carbamoyl-2-(2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}acetamido)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H25 F N4 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(CN2CCN(CC2)Cc2cccc(c2)F)=O)sc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7787 |
| logD: | -1.3342 |
| logSw: | -2.6571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.688 |
| InChI Key: | ZBACWXNKIJXXFO-UHFFFAOYSA-N |