1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | E647-0276 |
| Compound Name: | 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3126 |
| logD: | 4.3125 |
| logSw: | -4.3744 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.302 |
| InChI Key: | XRPLTYICQKLYDG-UHFFFAOYSA-N |