2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S638-4298 |
| Compound Name: | 2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 395.84 |
| Molecular Formula: | C17 H21 N5 O4 |
| Salt: | HCl |
| Smiles: | C1CC2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2337 |
| logD: | -3.7591 |
| logSw: | -1.9838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.877 |
| InChI Key: | FLQLDFYKVXQQEX-GFCCVEGCSA-N |