2-[(4-fluorophenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(4-fluorophenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0832 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C21 H24 F N3 O2 S |
| Smiles: | Cc1ccsc1C(N1CCC2C(N(CCN2CC1)Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.456 |
| logD: | 2.4544 |
| logSw: | -2.4081 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.821 |
| InChI Key: | GJACGPUASGYHQH-GOSISDBHSA-N |