2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8015-5596 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 617.63 |
| Molecular Formula: | C23 H19 N15 O3 S2 |
| Smiles: | C(C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nnc2n(cnn12)N)=O)=O)Sc1nnc2n(cnn12)N |
| Stereo: | ACHIRAL |
| logP: | -0.6411 |
| logD: | -0.6411 |
| logSw: | -2.1185 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 171.956 |
| InChI Key: | UAVOQOKWNSDTOX-UHFFFAOYSA-N |