2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | Y501-9880 |
| Compound Name: | 2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C18 H16 Br N5 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(c2ccc(cc2)[Br])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9827 |
| logD: | 2.9827 |
| logSw: | -3.3285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.726 |
| InChI Key: | MSWZWCUIEHONNL-UHFFFAOYSA-N |