methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F092-0226 |
| Compound Name: | methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C22 H19 N3 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCc2cc(ccc2OC)C(=O)OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5269 |
| logD: | 4.5259 |
| logSw: | -4.306 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.799 |
| InChI Key: | VLLPBBJRUKJLMM-UHFFFAOYSA-N |