3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7827 |
| Compound Name: | 3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | C1CCc2c(C1)c(C(NC1CC1)=O)c(NC(C1C(C3CCC1O3)C(O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7384 |
| logD: | 1.2225 |
| logSw: | -4.2334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.547 |
| InChI Key: | OWPMGUFZDWXSHE-UHFFFAOYSA-N |