ethyl 4-[2-({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-methyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-4335 |
| Compound Name: | ethyl 4-[2-({4-methyl-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: | CCOC(c1ccc(cc1)NC(CSc1nnc(Cn2nc(c3ccccc3)nn2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8051 |
| logD: | 2.8045 |
| logSw: | -3.2789 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.305 |
| InChI Key: | GDNDTCXXCUIIJP-UHFFFAOYSA-N |