ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-6693 |
| Compound Name: | ethyl 4-{3-[2-(adamantan-1-yl)ethyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 617.81 |
| Molecular Formula: | C35 H43 N3 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCC12CC3CC(CC(C3)C2)C1)=S)c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1734 |
| logD: | 7.1734 |
| logSw: | -5.6846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.58 |
| InChI Key: | RIWKMJHGPPUMST-BPYJCOKXSA-N |