8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0466 |
| Compound Name: | 8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C22 H26 F N5 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCC3C(N(CC(N3CC2)=O)Cc2cccc(c2)F)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0864 |
| logD: | -0.0864 |
| logSw: | -1.3964 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.57 |
| InChI Key: | HORFHTJSFSZXDM-IBGZPJMESA-N |