ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-9188 |
| Compound Name: | ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 589.75 |
| Molecular Formula: | C33 H39 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCC23CC4CC(CC(C4)C3)C2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1964 |
| logD: | 6.1964 |
| logSw: | -5.5388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.706 |
| InChI Key: | LVPOZCPIQIYTHP-QFCMAYNUSA-N |