7-[{[3-methoxy-4-(2-methylpropoxy)phenyl]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-methoxy-4-(2-methylpropoxy)phenyl]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-methoxy-4-(2-methylpropoxy)phenyl]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: | CM4206-1700 |
| Compound Name: | 7-[{[3-methoxy-4-(2-methylpropoxy)phenyl]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: | 388.51 |
| Molecular Formula: | C21 H32 N4 O3 |
| Smiles: | CC(C)COc1ccc(CN(C)C2CCC3=NN(C)C(N3CC2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1385 |
| logD: | -0.5536 |
| logSw: | -3.1653 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.278 |
| InChI Key: | JTZZOXGMXBLURI-QGZVFWFLSA-N |