2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C089-0522 |
| Compound Name: | 2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide |
| Molecular Weight: | 667.7 |
| Molecular Formula: | C35 H40 Cl2 N4 O3 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCC(CC1)Cc1ccccc1)=S)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3687 |
| logD: | 5.8852 |
| logSw: | -6.3331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.504 |
| InChI Key: | BSVDOXBONOXZEZ-JGCGQSQUSA-N |