N-[(4-cyclohexyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-cyclohexyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-cyclohexyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1970 |
| Compound Name: | N-[(4-cyclohexyl-5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C25 H28 F N5 O3 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(n1C1CCCCC1)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9034 |
| logD: | 3.9033 |
| logSw: | -3.9619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.9 |
| InChI Key: | CQIDXVRYSUHUPU-UHFFFAOYSA-N |