N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0250 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 491.37 |
| Molecular Formula: | C22 H15 Br N6 O S |
| Smiles: | Cc1ccc(cc1NC(c1c(ccc(n1)n1cnnc1)[Br])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0842 |
| logD: | 5.0839 |
| logSw: | -4.8891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.962 |
| InChI Key: | HHADLYIWIKYSRD-UHFFFAOYSA-N |