N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F813-4966 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C23 H21 N5 O3 S2 |
| Smiles: | CN(Cc1ccccc1)c1nc2c(c(ncn2)SCC(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3781 |
| logD: | 4.3781 |
| logSw: | -4.3166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.311 |
| InChI Key: | KKXKJJGRAQGDCQ-UHFFFAOYSA-N |