N-benzyl-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
N-benzyl-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Compound characteristics
| Compound ID: | S994-0850 |
| Compound Name: | N-benzyl-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C23 H27 F N4 O2 |
| Smiles: | C1CN(CCN2CCN(Cc3ccc(cc3)F)C(C12)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9416 |
| logD: | 1.7621 |
| logSw: | -2.2482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.945 |
| InChI Key: | JKCXIKMMLCBZKF-NRFANRHFSA-N |