3-(2-methoxyphenyl)-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Chemical Structure Depiction of
3-(2-methoxyphenyl)-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
3-(2-methoxyphenyl)-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Compound characteristics
| Compound ID: | S638-2148 |
| Compound Name: | 3-(2-methoxyphenyl)-N-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | CN(C1CCC2=NN(C)C(N2CC1)=O)C(CCc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0618 |
| logD: | 2.0617 |
| logSw: | -1.9966 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.579 |
| InChI Key: | LORBSTVGXWCVQZ-OAHLLOKOSA-N |