9-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0359 |
| Compound Name: | 9-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 383.85 |
| Molecular Formula: | C18 H23 Cl F N3 O3 |
| Smiles: | COCCN1CCN2CCCN(CC2C1=O)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8744 |
| logD: | 0.8636 |
| logSw: | -2.5305 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.328 |
| InChI Key: | JAYKMBCHRSPISY-INIZCTEOSA-N |