2-benzyl-N-(3,4-dimethylphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-(3,4-dimethylphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
2-benzyl-N-(3,4-dimethylphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-3229 |
| Compound Name: | 2-benzyl-N-(3,4-dimethylphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1ccc(cc1C)NC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7755 |
| logD: | 3.7754 |
| logSw: | -3.8838 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.793 |
| InChI Key: | CUJCIBLANKMKIK-UHFFFAOYSA-N |