2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D308-0219 |
| Compound Name: | 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(Nc1ccc(cc1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1952 |
| logD: | 4.1948 |
| logSw: | -4.273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | NLMPSBZWFYUXMC-UHFFFAOYSA-N |