2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0006 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2519 |
| logD: | 1.0602 |
| logSw: | -3.1347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.871 |
| InChI Key: | KTKQIRPWEZVDIR-UHFFFAOYSA-N |