N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-2424 |
| Compound Name: | N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C12 H10 N6 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(NC(Cn1cnc(n1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4984 |
| logD: | 2.4984 |
| logSw: | -2.8906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.545 |
| InChI Key: | SLRIWGDRQOBIKW-UHFFFAOYSA-N |