2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Chemical Structure Depiction of
2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Compound characteristics
| Compound ID: | S894-0003 |
| Compound Name: | 2-(2-methylpropyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid |
| Molecular Weight: | 253.3 |
| Molecular Formula: | C12 H19 N3 O3 |
| Smiles: | CC(C)CN1C(N2C(CCCCC2=N1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2143 |
| logD: | -1.8873 |
| logSw: | -1.2847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.9 |
| InChI Key: | QDVDDCXGVMFYEN-VIFPVBQESA-N |