ethyl 2-({[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1671 |
| Compound Name: | ethyl 2-({[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1ccc(cc1)[Cl])=O)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0063 |
| logD: | 4.8156 |
| logSw: | -5.031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.665 |
| InChI Key: | IVTGZVNLMNUURV-UHFFFAOYSA-N |