methyl 6-chloro-2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0694 |
| Compound Name: | methyl 6-chloro-2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSC1=C(C(c2cc(ccc2N1)[Cl])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6203 |
| logD: | 1.4786 |
| logSw: | -4.6736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | ORURXPUGLDCSTA-UHFFFAOYSA-N |