propan-2-yl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-3061 |
| Compound Name: | propan-2-yl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 452.4 |
| Molecular Formula: | C22 H23 Cl2 N O3 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(/C=C/c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4409 |
| logD: | 5.2645 |
| logSw: | -6.8125 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.595 |
| InChI Key: | MWTKFKBCSPEOCZ-UHFFFAOYSA-N |