N-[(5-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
N-[(5-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0111 |
| Compound Name: | N-[(5-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 476.48 |
| Molecular Formula: | C21 H21 F N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0796 |
| logD: | 2.0794 |
| logSw: | -2.9534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.542 |
| InChI Key: | VHIUJWUBTCBIQQ-UHFFFAOYSA-N |