3-{[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-{[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7856 |
| Compound Name: | 3-{[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C24 H30 N2 O4 S |
| Smiles: | C1CCC(CC1)NC(c1c2CCCc2sc1NC(C1C2CCC(C=C2)C1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9668 |
| logD: | 1.6416 |
| logSw: | -4.3095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.07 |
| InChI Key: | QXRPMRAPSOBWHP-UHFFFAOYSA-N |