5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide
5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E683-0384 |
| Compound Name: | 5-bromo-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C18 H17 Br N4 O2 |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(c3ccc(o3)[Br])=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5049 |
| logD: | 3.5039 |
| logSw: | -3.6202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.28 |
| InChI Key: | VBVNGYGILDQDCT-UHFFFAOYSA-N |