2-[(4-fluorophenyl)methyl]-9-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-9-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
2-[(4-fluorophenyl)methyl]-9-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0616 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-9-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H22 F N3 O3 S |
| Smiles: | Cc1ccc(C(N2CCCN3C(C2)C(N(CC3=O)Cc2ccc(cc2)F)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0646 |
| logD: | 2.0646 |
| logSw: | -2.4369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.042 |
| InChI Key: | PABYAPPGVGAXSD-KRWDZBQOSA-N |