methyl 4-[2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | F813-4910 |
| Compound Name: | methyl 4-[2-({2-[benzyl(methyl)amino][1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C23 H21 N5 O3 S2 |
| Smiles: | CN(Cc1ccccc1)c1nc2c(c(ncn2)SCC(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8745 |
| logD: | 4.8744 |
| logSw: | -4.6363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.048 |
| InChI Key: | FGPBIQKNGKTQQX-UHFFFAOYSA-N |