3-(3,4-dimethoxyphenyl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
3-(3,4-dimethoxyphenyl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Compound characteristics
| Compound ID: | S637-0006 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | Cc1nnc2CCC(CCn12)NC(CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9109 |
| logD: | 0.9083 |
| logSw: | -2.0361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.305 |
| InChI Key: | PXXHARZIJLOJGB-HNNXBMFYSA-N |