N-[(4-butyl-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-butyl-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1999 |
| Compound Name: | N-[(4-butyl-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.476 |
| logD: | 3.476 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.117 |
| InChI Key: | TYFIBLRLWWOXQD-UHFFFAOYSA-N |