2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(methoxymethyl)piperidine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(methoxymethyl)piperidine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(methoxymethyl)piperidine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0291 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[4-(methoxymethyl)piperidine-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C21 H31 N5 O4 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(N2CCC(CC2)COC)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7036 |
| logD: | 1.7036 |
| logSw: | -1.6219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.626 |
| InChI Key: | QDDYBVLKHDUYQT-QGZVFWFLSA-N |