ethyl 4-[2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | C592-4006 |
| Compound Name: | ethyl 4-[2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1CCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0521 |
| logD: | 3.052 |
| logSw: | -3.355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.339 |
| InChI Key: | ZXBMIUJYEVKSFJ-UHFFFAOYSA-N |