methyl 6-chloro-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0725 |
| Compound Name: | methyl 6-chloro-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=C(C(c2cc(ccc2N1)[Cl])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2963 |
| logD: | 1.1546 |
| logSw: | -4.5065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.988 |
| InChI Key: | SZHSMZGEHVADIA-UHFFFAOYSA-N |