ethyl 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1526 |
| Compound Name: | ethyl 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSc1nnc(c3ccc(C)cc3)[nH]1)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5338 |
| logD: | 3.3572 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.022 |
| InChI Key: | QBAMZSMSISPBLF-UHFFFAOYSA-N |