3,4-dimethyl-6-{[(thiophen-2-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-{[(thiophen-2-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-{[(thiophen-2-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
Compound ID: | Y206-6520 |
Compound Name: | 3,4-dimethyl-6-{[(thiophen-2-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
Molecular Weight: | 293.38 |
Molecular Formula: | C15 H19 N O3 S |
Smiles: | CC1CC(C(CC=1C)C(NCc1cccs1)=O)C(O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.944 |
logD: | -0.4118 |
logSw: | -2.6419 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.27 |
InChI Key: | AVIGRIPXBWFVAY-UHFFFAOYSA-N |