3-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6048-0361 |
| Compound Name: | 3-{[3-(ethoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C22 H27 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(C1C2CC(C=C2)C1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3601 |
| logD: | -0.0305 |
| logSw: | -4.3891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.382 |
| InChI Key: | MMDQSYAXRCIIGA-UHFFFAOYSA-N |