N,N-dimethyl-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N,N-dimethyl-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | CM3850-3944 |
| Compound Name: | N,N-dimethyl-3-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 250.34 |
| Molecular Formula: | C13 H22 N4 O |
| Smiles: | CC(C)c1nnc2CCCCC(C(N(C)C)=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5459 |
| logD: | 0.5167 |
| logSw: | -0.2008 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.534 |
| InChI Key: | ZXTNFDALDCTJGU-JTQLQIEISA-N |