2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Compound characteristics
| Compound ID: | S906-0263 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C14 H18 N4 O4 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(O)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3187 |
| logD: | -2.1081 |
| logSw: | -0.3971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.962 |
| InChI Key: | HGUIOBLGWHYCFI-SNVBAGLBSA-N |