ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0214 |
| Compound Name: | ethyl 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 541.64 |
| Molecular Formula: | C27 H32 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(CCN2CCN(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.34 |
| logD: | 1.0957 |
| logSw: | -2.8177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.588 |
| InChI Key: | UESXCCINJOEOQC-HSZRJFAPSA-N |