N-[(4-butyl-5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-butyl-5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-2000 |
| Compound Name: | N-[(4-butyl-5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8626 |
| logD: | 3.8626 |
| logSw: | -3.8314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.697 |
| InChI Key: | NVBQHSUGSKYOEN-UHFFFAOYSA-N |