3-(3,4-dimethoxyphenyl)-N-methyl-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-methyl-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-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Compound characteristics
| Compound ID: | S637-3065 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)C(CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1249 |
| logD: | 1.1224 |
| logSw: | -1.9556 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.055 |
| InChI Key: | SNTMIBZBGFRJBA-INIZCTEOSA-N |