ethyl 2-(4-nitrobenzamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitrobenzamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-(4-nitrobenzamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-1902 |
| Compound Name: | ethyl 2-(4-nitrobenzamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C24 H30 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCCCCCCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0407 |
| logD: | 3.2345 |
| logSw: | -5.7042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.511 |
| InChI Key: | ZLQUYLGDLLXZEX-UHFFFAOYSA-N |