N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0142 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | COc1ccc(cc1CNC(CSc1nnc(c2ccccc2)[nH]1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3303 |
| logD: | 2.1386 |
| logSw: | -3.6084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.576 |
| InChI Key: | CILNAXCABPTPSU-UHFFFAOYSA-N |