7-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-1988 |
| Compound Name: | 7-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 305.38 |
| Molecular Formula: | C15 H23 N5 O2 |
| Smiles: | Cc1c(CN(C)C2CCC3=NN(C)C(N3CC2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1407 |
| logD: | -2.9366 |
| logSw: | -1.224 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.1 |
| InChI Key: | YTUTUIAEDFQKDD-GFCCVEGCSA-N |