ethyl 2-[3-(4-methoxybenzene-1-sulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(4-methoxybenzene-1-sulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(4-methoxybenzene-1-sulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K978-1536 |
| Compound Name: | ethyl 2-[3-(4-methoxybenzene-1-sulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C21 H25 N O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCS(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3344 |
| logD: | 0.2579 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.165 |
| InChI Key: | XWKFHWYGVZUIII-UHFFFAOYSA-N |