methyl 2-[3-(2,4-dichlorophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(2,4-dichlorophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[3-(2,4-dichlorophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-5528 |
| Compound Name: | methyl 2-[3-(2,4-dichlorophenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 396.29 |
| Molecular Formula: | C18 H15 Cl2 N O3 S |
| Smiles: | COC(c1c2CCCc2sc1NC(/C=C/c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5113 |
| logD: | 2.3773 |
| logSw: | -6.1553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.371 |
| InChI Key: | BBIJCBRUAKPTSP-UHFFFAOYSA-N |