3-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butan-2-one
Chemical Structure Depiction of
3-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butan-2-one
3-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butan-2-one
Compound characteristics
| Compound ID: | D278-1056 |
| Compound Name: | 3-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butan-2-one |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C17 H19 N3 O S |
| Smiles: | CC(C(C)=O)Sc1nnc2cc(C)c3cc(C)cc(C)c3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.412 |
| logD: | 4.412 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.956 |
| InChI Key: | JPSYKTRAVVPQAP-ZDUSSCGKSA-N |