N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1994 |
| Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-butyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3019 |
| logD: | 3.3019 |
| logSw: | -3.5714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.573 |
| InChI Key: | DJQHIVDXINDJDP-UHFFFAOYSA-N |