ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1049 |
| Compound Name: | ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4795 |
| logD: | 0.6064 |
| logSw: | -5.3667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.21 |
| InChI Key: | BGHZIRUEORAGRB-UHFFFAOYSA-N |