3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Chemical Structure Depiction of
3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Compound characteristics
| Compound ID: | S906-0184 |
| Compound Name: | 3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C16 H19 N3 O4 |
| Smiles: | C1CC2=NN(CCOc3ccccc3)C(N2CCC1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3964 |
| logD: | -1.0303 |
| logSw: | -1.5102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.32 |
| InChI Key: | ILWZKRRFARTMLP-GFCCVEGCSA-N |