methyl 4-{2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 4-{2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M108-0314 |
| Compound Name: | methyl 4-{2-[3-(3-methylphenyl)-7-oxo[1,2]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | Cc1cccc(c1)c1c2c(C(N(CC(Nc3ccc(cc3)C(=O)OC)=O)C=N2)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.5769 |
| logD: | 3.5768 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.4 |
| InChI Key: | HCHCKCZADJRQBZ-UHFFFAOYSA-N |