N-(2,3-dimethylphenyl)-3-(1-propanoylpiperidin-2-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-3-(1-propanoylpiperidin-2-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-(2,3-dimethylphenyl)-3-(1-propanoylpiperidin-2-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S923-1002 |
| Compound Name: | N-(2,3-dimethylphenyl)-3-(1-propanoylpiperidin-2-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)C(Nc1cccc(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6689 |
| logD: | 2.6689 |
| logSw: | -2.6865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.928 |
| InChI Key: | DEYXWJCEJHCMSP-IBGZPJMESA-N |