5-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
5-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-6171 |
| Compound Name: | 5-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-5-oxopentanoic acid |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(CCCC(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4514 |
| logD: | -0.1458 |
| logSw: | -2.561 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.874 |
| InChI Key: | DBOFZEABJUMFSR-UHFFFAOYSA-N |