2-[(3-fluorophenyl)methyl]-8-(pyrimidine-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-8-(pyrimidine-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-fluorophenyl)methyl]-8-(pyrimidine-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0455 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-8-(pyrimidine-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C20 H20 F N5 O3 |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1cccc(c1)F)=O)C(c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5587 |
| logD: | -0.5587 |
| logSw: | -1.3307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.525 |
| InChI Key: | PXLLRPKPGIUJFV-INIZCTEOSA-N |