ethyl 4-(3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
ethyl 4-(3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3448-4153 |
| Compound Name: | ethyl 4-(3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(CC(C1=O)SCC(Nc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.272 |
| logD: | 3.2713 |
| logSw: | -3.8043 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.061 |
| InChI Key: | VLKDPADCSJKUKA-KRWDZBQOSA-N |