N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-3190 |
| Compound Name: | N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccccc2)=O)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3905 |
| logD: | 4.3905 |
| logSw: | -4.2182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.431 |
| InChI Key: | XZXWIFXYIHQTKH-UHFFFAOYSA-N |