ethyl 4-[2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8018-0036 |
| Compound Name: | ethyl 4-[2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 521.55 |
| Molecular Formula: | C24 H23 N7 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(Cn2c(cnc2C)[N+]([O-])=O)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0574 |
| logD: | 3.0563 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.313 |
| InChI Key: | FHBVVGVKBIRSJO-UHFFFAOYSA-N |