2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F711-0675 |
| Compound Name: | 2-[2-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C23 H23 F N4 O5 S |
| Smiles: | C(c1ccc(cc1)F)NC(Cn1c(CO)cnc1SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1987 |
| logD: | 1.1984 |
| logSw: | -2.3373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.803 |
| InChI Key: | KWMXEDAVYMECMG-UHFFFAOYSA-N |