ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0715 |
| Compound Name: | ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 556.1 |
| Molecular Formula: | C27 H26 Cl N3 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(CCc2c(C)ccs2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5184 |
| logD: | 5.518 |
| logSw: | -5.9282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.147 |
| InChI Key: | VTVCJYGLHIQOSC-QFIPXVFZSA-N |