N-[3-(morpholin-4-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[3-(morpholin-4-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[3-(morpholin-4-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0841 |
| Compound Name: | N-[3-(morpholin-4-yl)propyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCCCN1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2579 |
| logD: | 0.8344 |
| logSw: | -1.8247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.408 |
| InChI Key: | LTCIZVSJSJNTOK-SFHVURJKSA-N |