3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | S638-0394 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-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: | 374.44 |
| Molecular Formula: | C19 H26 N4 O4 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(CCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3768 |
| logD: | 1.3767 |
| logSw: | -1.917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.46 |
| InChI Key: | OBHBNZCFKKCORN-CQSZACIVSA-N |