2-{5-[(1,3-benzoxazol-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3-benzoxazole
Chemical Structure Depiction of
2-{5-[(1,3-benzoxazol-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3-benzoxazole
2-{5-[(1,3-benzoxazol-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | 8002-6519 |
| Compound Name: | 2-{5-[(1,3-benzoxazol-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3-benzoxazole |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C16 H9 N5 O2 S |
| Smiles: | c1ccc2c(c1)nc(n1c(ncn1)Sc1nc3ccccc3o1)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.295 |
| logD: | 4.295 |
| logSw: | -4.625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.229 |
| InChI Key: | AEQAYHPPQCQTGL-UHFFFAOYSA-N |