methyl 2-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1402 |
| Compound Name: | methyl 2-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | CC(c1cccc(c1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9297 |
| logD: | 1.566 |
| logSw: | -3.5953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.691 |
| InChI Key: | PEFBTBVRJCZILT-UHFFFAOYSA-N |