3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9543 |
| Compound Name: | 3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C16 H17 N O3 S |
| Smiles: | CSc1ccccc1NC(C1C2CC(C=C2)C1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4964 |
| logD: | 0.1712 |
| logSw: | -2.7453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.885 |
| InChI Key: | SADRDJJOMWZIJH-UHFFFAOYSA-N |