2-[(3-fluorophenyl)methyl]-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-fluorophenyl)methyl]-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0411 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H20 F N3 O3 S |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1cccc(c1)F)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6019 |
| logD: | 1.6019 |
| logSw: | -2.1501 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.109 |
| InChI Key: | JGNPEWXLWXSJGP-MRXNPFEDSA-N |