ethyl 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1611 |
| Compound Name: | ethyl 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC1=CC(c2cc(ccc2N1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7995 |
| logD: | 4.6165 |
| logSw: | -4.4937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.532 |
| InChI Key: | VEXNWLLIPAYYCM-UHFFFAOYSA-N |