6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8018-5546 |
| Compound Name: | 6-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | C1CCN(C(C2CC=CCC2C(O)=O)=O)c2ccccc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1047 |
| logD: | 0.7489 |
| logSw: | -3.2995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.482 |
| InChI Key: | SHPABSKDSGXAQL-UHFFFAOYSA-N |