2-benzyl-N-methyl-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-methyl-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-methyl-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: | S636-3249 |
Compound Name: | 2-benzyl-N-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
Molecular Weight: | 301.35 |
Molecular Formula: | C15 H19 N5 O2 |
Smiles: | CNC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1752 |
logD: | 1.1752 |
logSw: | -1.9299 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.537 |
InChI Key: | BRBJDHVVSCMPIM-UHFFFAOYSA-N |