ethyl 2-(5-chloro-2-methoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(5-chloro-2-methoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-(5-chloro-2-methoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0732 |
| Compound Name: | ethyl 2-(5-chloro-2-methoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 421.94 |
| Molecular Formula: | C21 H24 Cl N O4 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.795 |
| logD: | -0.0209 |
| logSw: | -6.0012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | NJPAGOXCNAEFKI-UHFFFAOYSA-N |