N-[(4-butyl-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-butyl-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1993 |
| Compound Name: | N-[(4-butyl-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9277 |
| logD: | 3.9277 |
| logSw: | -3.8448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.481 |
| InChI Key: | NUIABUJOPTUROK-UHFFFAOYSA-N |