N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1982 |
| Compound Name: | N-[(4-ethyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H22 F N5 O3 S |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6471 |
| logD: | 2.647 |
| logSw: | -3.0834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.32 |
| InChI Key: | CFTXZFOFTFYAFB-UHFFFAOYSA-N |