6-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y508-8656 |
| Compound Name: | 6-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(C1CC=CCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0849 |
| logD: | -0.271 |
| logSw: | -3.0971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.337 |
| InChI Key: | SGMQPIPRCVJDAL-UHFFFAOYSA-N |