2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-hydroxy-3-(methoxycarbonyl)quinoline-7-carboxylic acid
Chemical Structure Depiction of
2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-hydroxy-3-(methoxycarbonyl)quinoline-7-carboxylic acid
2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-hydroxy-3-(methoxycarbonyl)quinoline-7-carboxylic acid
Compound characteristics
| Compound ID: | C201-0244 |
| Compound Name: | 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-hydroxy-3-(methoxycarbonyl)quinoline-7-carboxylic acid |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C24 H24 N2 O8 S |
| Smiles: | COC(c1c(c2ccc(cc2nc1SCC(NCCc1ccc(c(c1)OC)OC)=O)C(O)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0143 |
| logD: | 0.8651 |
| logSw: | -3.3393 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.064 |
| InChI Key: | UWSCNZKCDYPCCF-UHFFFAOYSA-N |