ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5656 |
| Compound Name: | ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 438.37 |
| Molecular Formula: | C21 H21 Cl2 N O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(/C=C/c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9307 |
| logD: | 4.7543 |
| logSw: | -6.7551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.916 |
| InChI Key: | DWSOSKJXHPPFKZ-UHFFFAOYSA-N |