2-[(4-fluorophenyl)methyl]-8-(thiophene-3-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-8-(thiophene-3-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(4-fluorophenyl)methyl]-8-(thiophene-3-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0845 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-8-(thiophene-3-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 387.47 |
| Molecular Formula: | C20 H22 F N3 O2 S |
| Smiles: | C1CN(CCN2CCN(Cc3ccc(cc3)F)C(C12)=O)C(c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7682 |
| logD: | 1.7675 |
| logSw: | -2.3077 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.821 |
| InChI Key: | JDWCVSWZFNPPKX-GOSISDBHSA-N |