7-{[(3-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)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: | S638-2262 |
| Compound Name: | 7-{[(3-chloro-4-fluorophenyl)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: | 338.81 |
| Molecular Formula: | C16 H20 Cl F N4 O |
| Smiles: | CN(Cc1ccc(c(c1)[Cl])F)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6053 |
| logD: | 0.8581 |
| logSw: | -3.226 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.062 |
| InChI Key: | NTEUZZKLYHDTKL-LBPRGKRZSA-N |