propyl 2-[3-(4-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[3-(4-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
propyl 2-[3-(4-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9271 |
| Compound Name: | propyl 2-[3-(4-nitrophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | CCCOC(c1c2CCCc2sc1NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9512 |
| logD: | 2.7543 |
| logSw: | -4.7179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.627 |
| InChI Key: | JGZULIHWHNHUHH-UHFFFAOYSA-N |