N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylacetamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylacetamide
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | S911-0478 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methylacetamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C19 H30 N6 O3 |
| Smiles: | Cc1c(CN(C)C(CC2CCC3=NN(CCOC)C(N3CC2)=O)=O)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6968 |
| logD: | 0.6968 |
| logSw: | -0.625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.893 |
| InChI Key: | HRMNHVQNSXMMHG-OAHLLOKOSA-N |