2-[(4-fluorophenyl)methyl]-9-(propane-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-9-(propane-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
2-[(4-fluorophenyl)methyl]-9-(propane-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0579 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-9-(propane-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C18 H24 F N3 O4 S |
| Smiles: | CCCS(N1CCCN2C(C1)C(N(CC2=O)Cc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4357 |
| logD: | 0.4357 |
| logSw: | -2.1021 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.252 |
| InChI Key: | CCRJJHZJBZYIMB-INIZCTEOSA-N |