3-({2-oxo-2-[4-(3-phenylprop-2-en-1-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-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
3-({2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | Y044-0119 |
| Compound Name: | 3-({2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}sulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | C1Cc2ccccc2NC(C1SCC(N1CCN(CC1)C/C=C/c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6938 |
| logD: | 3.6927 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.087 |
| InChI Key: | ANXOIGNPEGGEMM-QHCPKHFHSA-N |