6,8-dimethyl-2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6,8-dimethyl-2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0934 |
| Compound Name: | 6,8-dimethyl-2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(CSc1nnc(c3cccs3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8218 |
| logD: | 3.8113 |
| logSw: | -3.7919 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.612 |
| InChI Key: | KTBLUDZZNZWVOX-UHFFFAOYSA-N |