N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-2242 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C27 H31 Cl N2 O3 S |
| Smiles: | C(CNC(c1ccc(CS(c2ccccc2[Cl])=O)o1)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7456 |
| logD: | 2.711 |
| logSw: | -4.7757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.186 |
| InChI Key: | TYCPKHSHMMZGCI-UHFFFAOYSA-N |