3-{[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7830 |
| Compound Name: | 3-{[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | C1CCc2c(C1)c(C(N1CCOCC1)=O)c(NC(C1C3CCC(CC3)C1C(O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0101 |
| logD: | 0.3901 |
| logSw: | -3.3281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.122 |
| InChI Key: | INOGNAOBZREAQB-UHFFFAOYSA-N |