2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0269 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | Cc1ccc(C)c(CNC(C2CCC3=NN(Cc4c(C)noc4C)C(N3CC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.147 |
| logD: | 3.1469 |
| logSw: | -3.0537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.967 |
| InChI Key: | MAMWFWBGQLYKQA-GOSISDBHSA-N |