6-{[3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7874 |
| Compound Name: | 6-{[3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | C1CCN(CC1)C(c1c2CCCCc2sc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3999 |
| logD: | 1.0146 |
| logSw: | -3.7755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.293 |
| InChI Key: | SAGPQNGYCCGCHP-UHFFFAOYSA-N |