methyl 7-chloro-2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-chloro-2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 7-chloro-2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0638 |
| Compound Name: | methyl 7-chloro-2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=C(C(c2ccc(cc2N1)[Cl])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1662 |
| logD: | 0.9425 |
| logSw: | -4.4591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | ZFYDXCWVPQTJHM-UHFFFAOYSA-N |