3-{[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
3-{[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
3-{[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | Y044-0124 |
| Compound Name: | 3-{[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | C1Cc2ccccc2NC(C1SCCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1163 |
| logD: | 3.1162 |
| logSw: | -3.2655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.828 |
| InChI Key: | QBWIYHKRGBNTAD-NRFANRHFSA-N |