2-[(1-methyl-5-nitro-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzoxazole
Chemical Structure Depiction of
2-[(1-methyl-5-nitro-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzoxazole
2-[(1-methyl-5-nitro-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzoxazole
Compound characteristics
| Compound ID: | 8016-5070 |
| Compound Name: | 2-[(1-methyl-5-nitro-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzoxazole |
| Molecular Weight: | 277.26 |
| Molecular Formula: | C10 H7 N5 O3 S |
| Smiles: | Cn1c(nc(n1)Sc1nc2ccccc2o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4069 |
| logD: | 2.4069 |
| logSw: | -2.4633 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.618 |
| InChI Key: | XLLHQJPLBOTMTM-UHFFFAOYSA-N |