6,8-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6,8-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0922 |
| Compound Name: | 6,8-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(CSc1nnc(c3ccccc3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9964 |
| logD: | 3.9858 |
| logSw: | -4.1927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.593 |
| InChI Key: | CIXMPDRHLHHBQP-UHFFFAOYSA-N |