N-[(5-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1985 |
| Compound Name: | N-[(5-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2486 |
| logD: | 3.2486 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.622 |
| InChI Key: | IJXSEYWYZAYTKF-UHFFFAOYSA-N |