2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8008-9445 |
| Compound Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 535.61 |
| Molecular Formula: | C23 H21 N9 O3 S2 |
| Smiles: | Cn1cnnc1SCC(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nncn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7274 |
| logD: | 1.7273 |
| logSw: | -2.5258 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.335 |
| InChI Key: | TUOKBOXITRURRC-UHFFFAOYSA-N |