2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0069 |
| Compound Name: | 2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 666.24 |
| Molecular Formula: | C34 H40 Cl N5 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(CC1)c1ccc(cc1)OC)=S)c1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5111 |
| logD: | 4.2843 |
| logSw: | -4.6388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.916 |
| InChI Key: | GICXVBQCZYRTGT-SSEXGKCCSA-N |