2-({1-[2-(benzylamino)-2-oxoethyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-({1-[2-(benzylamino)-2-oxoethyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-({1-[2-(benzylamino)-2-oxoethyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F711-0534 |
| Compound Name: | 2-({1-[2-(benzylamino)-2-oxoethyl]-5-(hydroxymethyl)-1H-imidazol-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | C(c1ccccc1)NC(Cn1c(CO)cnc1SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1696 |
| logD: | 1.1693 |
| logSw: | -2.2763 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.803 |
| InChI Key: | ZPPCMFWGIHEVIH-UHFFFAOYSA-N |