1-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-2-one
1-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | D308-0128 |
| Compound Name: | 1-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | CC(CSc1nnc2cc(C)c3cc(C)cc(C)c3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7398 |
| logD: | 3.7397 |
| logSw: | -3.8273 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.465 |
| InChI Key: | ACECEHLHRDAIDC-UHFFFAOYSA-N |