2-benzyl-N-[(4-fluorophenyl)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-[(4-fluorophenyl)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-[(4-fluorophenyl)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: | S636-3246 |
| Compound Name: | 2-benzyl-N-[(4-fluorophenyl)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: | 395.44 |
| Molecular Formula: | C21 H22 F N5 O2 |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4446 |
| logD: | 2.4446 |
| logSw: | -2.6231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.115 |
| InChI Key: | FPXLYOSUSLDXMS-UHFFFAOYSA-N |