propyl 2-[3-(4-chlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[3-(4-chlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-[3-(4-chlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-2150 |
| Compound Name: | propyl 2-[3-(4-chlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 417.95 |
| Molecular Formula: | C22 H24 Cl N O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(/C=C/c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5265 |
| logD: | 4.3501 |
| logSw: | -6.5913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.21 |
| InChI Key: | ZMDJGPYTIGEFNX-UHFFFAOYSA-N |