6,8-dimethyl-2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6,8-dimethyl-2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0924 |
| Compound Name: | 6,8-dimethyl-2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1C)SCC1=CC(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5248 |
| logD: | 4.5143 |
| logSw: | -4.2267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.593 |
| InChI Key: | BAFRDJWWADGHRN-UHFFFAOYSA-N |