5,8-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
5,8-dimethyl-2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
5,8-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: | G751-1441 |
| Compound Name: | 5,8-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: | Cc1ccc(C)c2c1C(C=C(CSc1nnc(c3cccs3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0357 |
| logD: | 4.002 |
| logSw: | -4.1815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.612 |
| InChI Key: | YJEPGXBHLBBISV-UHFFFAOYSA-N |