benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate
Chemical Structure Depiction of
benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate
benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | 8012-8423 |
| Compound Name: | benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | CCc1c2CCCCCCc2nc2c1c(c(C(=O)OCc1ccccc1)s2)N |
| Stereo: | ACHIRAL |
| logP: | 6.4842 |
| logD: | 6.4831 |
| logSw: | -5.85 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.955 |
| InChI Key: | OHAJEJDREDCVEB-UHFFFAOYSA-N |