5-bromo-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)furan-2-carboxamide
5-bromo-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | S638-0031 |
| Compound Name: | 5-bromo-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)furan-2-carboxamide |
| Molecular Weight: | 341.16 |
| Molecular Formula: | C12 H13 Br N4 O3 |
| Smiles: | C1CC2=NNC(N2CCC1NC(c1ccc(o1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5374 |
| logD: | 1.5309 |
| logSw: | -1.9985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.99 |
| InChI Key: | PAGHILNNOYXERJ-ZETCQYMHSA-N |