methyl 4-(2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | J037-0026 |
| Compound Name: | methyl 4-(2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C24 H25 N3 O5 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCC1)(=O)=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5223 |
| logD: | 4.5222 |
| logSw: | -4.2185 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.059 |
| InChI Key: | XPTJWLCELQHFGU-UHFFFAOYSA-N |