ethyl 4-[2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8018-0953 |
| Compound Name: | ethyl 4-[2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C19 H21 N7 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(Cn2c(cnc2C)[N+]([O-])=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7189 |
| logD: | 1.694 |
| logSw: | -2.4751 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.651 |
| InChI Key: | AECNFOUEASFJOA-UHFFFAOYSA-N |