2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(2-phenoxyethyl)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-(2-phenoxyethyl)acetamide
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(2-phenoxyethyl)acetamide
Compound characteristics
| Compound ID: | S638-4317 |
| 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-(2-phenoxyethyl)acetamide |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C17 H23 N5 O3 |
| Smiles: | C1CC2=NN(CC(NCCOc3ccccc3)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5255 |
| logD: | -3.4673 |
| logSw: | -1.7979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.021 |
| InChI Key: | GGULZQNQIJMAIN-CYBMUJFWSA-N |