methyl 2-[2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-3367 |
| Compound Name: | methyl 2-[2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C22 H22 N8 O3 S |
| Smiles: | CCn1c(Cn2nc(c3ccccc3)nn2)nnc1SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5428 |
| logD: | 2.5276 |
| logSw: | -3.1359 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.942 |
| InChI Key: | WMJUHRXAAINVJX-UHFFFAOYSA-N |