2-[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
2-[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5568 |
| Compound Name: | 2-[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1cccc2C(C=C(CSc3nnc(COc4ccc(cc4)[Cl])n3C)Nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7363 |
| logD: | 3.7283 |
| logSw: | -4.3302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.069 |
| InChI Key: | OWKHNHQCEOGUGJ-UHFFFAOYSA-N |