3-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
3-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
3-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | Y044-0123 |
| Compound Name: | 3-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | C1Cc2ccccc2NC(C1SCC(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8825 |
| logD: | 2.8737 |
| logSw: | -3.2395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.34 |
| InChI Key: | AUNJNCZVMZVMNZ-SFHVURJKSA-N |