2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-benzylacetamide
Chemical Structure Depiction of
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-benzylacetamide
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-benzylacetamide
Compound characteristics
| Compound ID: | F711-0533 |
| Compound Name: | 2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-benzylacetamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | C(c1ccccc1)NC(Cn1c(CO)cnc1SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0301 |
| logD: | 2.0299 |
| logSw: | -2.5646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.095 |
| InChI Key: | IGSADEVTSDQFTB-UHFFFAOYSA-N |