methyl 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoate
Chemical Structure Depiction of
methyl 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoate
methyl 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoate
Compound characteristics
| Compound ID: | 8018-5554 |
| Compound Name: | methyl 4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanoate |
| Molecular Weight: | 261.32 |
| Molecular Formula: | C15 H19 N O3 |
| Smiles: | COC(CCC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5848 |
| logD: | 2.5848 |
| logSw: | -2.7439 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.205 |
| InChI Key: | ADFCDJCAVLNKPE-UHFFFAOYSA-N |