5,8-dimethyl-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
5,8-dimethyl-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
5,8-dimethyl-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1487 |
| Compound Name: | 5,8-dimethyl-2-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSc1nnc(COc3ccccc3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.705 |
| logD: | 3.6713 |
| logSw: | -4.1215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.069 |
| InChI Key: | BORRARGEGQANEE-UHFFFAOYSA-N |