methyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
methyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J015-0206 |
| Compound Name: | methyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C16 H12 Br N5 O3 |
| Smiles: | COC(c1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8897 |
| logD: | 2.8612 |
| logSw: | -3.6635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.385 |
| InChI Key: | LMCVAZZRPYQLTD-UHFFFAOYSA-N |