9-(5-chloro-2-methoxybenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(5-chloro-2-methoxybenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(5-chloro-2-methoxybenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0827 |
| Compound Name: | 9-(5-chloro-2-methoxybenzoyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C23 H25 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1C(N1CCCN2CCN(Cc3ccc(cc3)F)C(C2C1)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6071 |
| logD: | 2.6064 |
| logSw: | -3.2249 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.366 |
| InChI Key: | PVTYTNSJYWYWSN-FQEVSTJZSA-N |