N-{[4-(3-chlorophenyl)-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
N-{[4-(3-chlorophenyl)-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K400-04216 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 577.06 |
| Molecular Formula: | C28 H25 Cl N6 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NCc1nnc(n1c1cccc(c1)[Cl])SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9848 |
| logD: | 4.9846 |
| logSw: | -5.0214 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.511 |
| InChI Key: | KHCLPDPJBYQQOU-UHFFFAOYSA-N |