methyl 4-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8008-3282 |
| Compound Name: | methyl 4-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C13 H13 N7 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc2n(cnn12)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1023 |
| logD: | 0.1022 |
| logSw: | -2.167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.866 |
| InChI Key: | KHAOHCZGPGFUSF-UHFFFAOYSA-N |