5-bromo-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-carboxamide
5-bromo-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S638-0544 |
| Compound Name: | 5-bromo-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-carboxamide |
| Molecular Weight: | 366.21 |
| Molecular Formula: | C14 H16 Br N5 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(c1cc(cnc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3529 |
| logD: | 1.3529 |
| logSw: | -1.7053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.021 |
| InChI Key: | LHVAITWHZHZGRO-NSHDSACASA-N |