N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | T604-0577 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C23 H22 Cl N3 O5 |
| Smiles: | CC1=C(CCO)C(N(CC(NCc2ccc3c(c2)OCO3)=O)C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.189 |
| logD: | 2.1888 |
| logSw: | -3.2946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.244 |
| InChI Key: | XQZLSKBHASKXAA-UHFFFAOYSA-N |