6-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-7393 |
| Compound Name: | 6-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC1CC(C(CC=1C)C(NCc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8821 |
| logD: | -0.4737 |
| logSw: | -2.6051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.368 |
| InChI Key: | VJGWBNMMVPDGAM-UHFFFAOYSA-N |