8-[(4-chlorophenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[(4-chlorophenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[(4-chlorophenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0009 |
| Compound Name: | 8-[(4-chlorophenyl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 321.8 |
| Molecular Formula: | C16 H20 Cl N3 O2 |
| Smiles: | C1CN(CCN2CCNC(C12)=O)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0114 |
| logD: | 0.905 |
| logSw: | -2.5137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.929 |
| InChI Key: | KMLSLDAPGUQGRL-CQSZACIVSA-N |