propyl 2-[3-(4-methoxyphenyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[3-(4-methoxyphenyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-[3-(4-methoxyphenyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-9450 |
| Compound Name: | propyl 2-[3-(4-methoxyphenyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C23 H29 N O4 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(CCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4788 |
| logD: | 2.7468 |
| logSw: | -5.4434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.754 |
| InChI Key: | JJOFPKHSSLDTKU-UHFFFAOYSA-N |