propan-2-yl 2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
Chemical Structure Depiction of
propan-2-yl 2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
propan-2-yl 2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | D278-1166 |
| Compound Name: | propan-2-yl 2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C17 H19 N3 O2 S |
| Smiles: | CC(C)OC(C(C)Sc1nnc2cc(C)c3ccccc3n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.133 |
| logD: | 4.133 |
| logSw: | -4.2173 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.786 |
| InChI Key: | DQNMLYYRLNNPRE-LBPRGKRZSA-N |