ethyl 4-[({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
ethyl 4-[({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C677-0229 |
| Compound Name: | ethyl 4-[({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C23 H27 F N6 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1nnc(Cc2cccn2C)n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6652 |
| logD: | 2.6651 |
| logSw: | -2.7279 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.759 |
| InChI Key: | AGDKGBDWHIBSED-UHFFFAOYSA-N |