6-[(6-methyl-2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(6-methyl-2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(6-methyl-2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8018-6664 |
| Compound Name: | 6-[(6-methyl-2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | Cc1cc2c(cc1NC(C1CC=CCC1C(O)=O)=O)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1988 |
| logD: | -0.1571 |
| logSw: | -2.6734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.348 |
| InChI Key: | JZOMYLSRHYPZRD-UHFFFAOYSA-N |