ethyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E641-2208 |
| Compound Name: | ethyl 2-{(1-acetylpiperidin-4-yl)[(5-methylfuran-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N(Cc1ccc(C)o1)C1CCN(CC1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5838 |
| logD: | 4.1165 |
| logSw: | -4.408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.171 |
| InChI Key: | SMBXWNWPNWZWKN-UHFFFAOYSA-N |