methyl 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
methyl 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | D278-1134 |
| Compound Name: | methyl 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CC(C(=O)OC)Sc1nnc2cc(C)c3cccc(C)c3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7635 |
| logD: | 3.7635 |
| logSw: | -4.1208 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.303 |
| InChI Key: | WEOXJYUZASNFMW-NSHDSACASA-N |