N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-phenylpropanamide
N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | S637-3199 |
| Compound Name: | N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-phenylpropanamide |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)C(CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6079 |
| logD: | 1.6054 |
| logSw: | -1.5958 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.794 |
| InChI Key: | ALPVMXBCEHSTFP-INIZCTEOSA-N |