N-{[4-(morpholin-4-yl)phenyl]methyl}-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-{[4-(morpholin-4-yl)phenyl]methyl}-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-{[4-(morpholin-4-yl)phenyl]methyl}-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-1047 |
| Compound Name: | N-{[4-(morpholin-4-yl)phenyl]methyl}-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCc1ccc(cc1)N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5414 |
| logD: | 2.5401 |
| logSw: | -2.6848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.036 |
| InChI Key: | GSGJNEOSUQZLRY-QFIPXVFZSA-N |