7-{[(3-methoxy-4-propoxyphenyl)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-propoxyphenyl)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-propoxyphenyl)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: | CM4206-1708 |
| Compound Name: | 7-{[(3-methoxy-4-propoxyphenyl)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: | 374.48 |
| Molecular Formula: | C20 H30 N4 O3 |
| Smiles: | CCCOc1ccc(CN(C)C2CCC3=NN(C)C(N3CC2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6274 |
| logD: | -1.0647 |
| logSw: | -2.6447 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.197 |
| InChI Key: | KGGGVXQOPHHRNW-MRXNPFEDSA-N |