2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(4-{3-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-2-oxopropyl}phenyl)-1,3-benzoxazol-5-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-[2-(4-{3-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-2-oxopropyl}phenyl)-1,3-benzoxazol-5-yl]acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(4-{3-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-2-oxopropyl}phenyl)-1,3-benzoxazol-5-yl]acetamide
Compound characteristics
| Compound ID: | 8006-5074 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[2-(4-{3-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-2-oxopropyl}phenyl)-1,3-benzoxazol-5-yl]acetamide |
| Molecular Weight: | 616.64 |
| Molecular Formula: | C24 H20 N14 O3 S2 |
| Smiles: | C(C(CSc1nnc2n(cnn12)N)=O)c1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nnc2n(cnn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3525 |
| logD: | -0.3526 |
| logSw: | -2.1518 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 161.562 |
| InChI Key: | DVYLISKRIDMIEH-UHFFFAOYSA-N |