2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8008-0573 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C15 H15 N11 O4 S4 |
| Smiles: | C(C(Nc1nnc(SCC(Nc2ccc(cc2)S(N)(=O)=O)=O)s1)=O)Sc1nnc2n(cnn12)N |
| Stereo: | ACHIRAL |
| logP: | -0.8609 |
| logD: | -0.8621 |
| logSw: | -1.9152 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 174.079 |
| InChI Key: | GDMIBQGMJFCEJY-UHFFFAOYSA-N |