N-(1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene)-beta-alanine
Chemical Structure Depiction of
N-(1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene)-beta-alanine
N-(1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene)-beta-alanine
Compound characteristics
| Compound ID: | 4748-0739 |
| Compound Name: | N-(1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene)-beta-alanine |
| Molecular Weight: | 232.28 |
| Molecular Formula: | C13 H16 N2 O2 |
| Smiles: | C1C/C(Nc2ccccc2C1)=N/CCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5064 |
| logD: | 1.5064 |
| logSw: | -1.9368 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.203 |
| InChI Key: | CWQNRHHRGFGKLT-UHFFFAOYSA-N |