N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamide
Compound characteristics
| Compound ID: | M108-0316 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | Cc1cccc(c1)c1c2c(C(N(CC(NCc3ccc4c(c3)OCO4)=O)C=N2)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 2.977 |
| logD: | 2.977 |
| logSw: | -3.2464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.664 |
| InChI Key: | ZEWWQIRQWQUNHD-UHFFFAOYSA-N |