1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-5-[(3RS)-1,2-dithiolan-3-yl]pentan-1-one
Chemical Structure Depiction of
1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-5-[(3RS)-1,2-dithiolan-3-yl]pentan-1-one
1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-5-[(3RS)-1,2-dithiolan-3-yl]pentan-1-one
Compound characteristics
| Compound ID: | Y043-4525 |
| Compound Name: | 1-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-5-[(3RS)-1,2-dithiolan-3-yl]pentan-1-one |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C21 H28 N2 O4 S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(N1CCN(CC1)C(C1COc2ccccc2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9532 |
| logD: | 2.9532 |
| logSw: | -3.2508 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.811 |
| InChI Key: | DHWGMWVPKYRWEU-UCFFOFKASA-N |