2-benzyl-3-oxo-N-(2-phenylethyl)-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-3-oxo-N-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
2-benzyl-3-oxo-N-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-3243 |
| Compound Name: | 2-benzyl-3-oxo-N-(2-phenylethyl)-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: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8321 |
| logD: | 2.8321 |
| logSw: | -3.1833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.956 |
| InChI Key: | ONJSBCSPDLEYGI-UHFFFAOYSA-N |