2-methylpropyl [(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-methylpropyl [(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
2-methylpropyl [(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D308-0407 |
| Compound Name: | 2-methylpropyl [(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | CC(C)COC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5565 |
| logD: | 4.5565 |
| logSw: | -4.4417 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.664 |
| InChI Key: | NCBXFRNPDHLPNM-UHFFFAOYSA-N |