methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1374 |
| Compound Name: | methyl 2-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7902 |
| logD: | 2.4265 |
| logSw: | -3.9973 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.618 |
| InChI Key: | PWVKYTKEAXSAGO-UHFFFAOYSA-N |