ethyl 4-[({4-(4-methoxyphenyl)-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-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
ethyl 4-[({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C677-0155 |
| Compound Name: | ethyl 4-[({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C24 H30 N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1nnc(Cc2cccn2C)n1c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6185 |
| logD: | 2.6184 |
| logSw: | -2.7254 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.303 |
| InChI Key: | CIHCKRLQKFLFCT-UHFFFAOYSA-N |