N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide
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)quinoline-2-carboxamide
N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide
Compound characteristics
| Compound ID: | S637-3132 |
| Compound Name: | N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-2-carboxamide |
| Molecular Weight: | 335.41 |
| Molecular Formula: | C19 H21 N5 O |
| Smiles: | Cc1nnc2CCC(CCn12)N(C)C(c1ccc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6002 |
| logD: | 1.5977 |
| logSw: | -2.227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.652 |
| InChI Key: | YGJCLPKBJZUYBK-HNNXBMFYSA-N |