ethyl 2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1579 |
| Compound Name: | ethyl 2-({[4-methyl-5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSc1nnc(CC(C)C)n1C)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9086 |
| logD: | 3.7256 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.847 |
| InChI Key: | QEZAIZYINMZEDF-UHFFFAOYSA-N |