methyl 2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1383 |
| Compound Name: | methyl 2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1ccc(CNC(CSC2=C(C(c3ccccc3N2)=O)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2935 |
| logD: | 1.9298 |
| logSw: | -3.8212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.186 |
| InChI Key: | KMWRBAXBTLHJAO-UHFFFAOYSA-N |