6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3944 |
| Compound Name: | 6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C26 H20 N4 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6593 |
| logD: | 5.6593 |
| logSw: | -5.3988 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 67.365 |
| InChI Key: | ZLXFHUBEMXXAKK-UHFFFAOYSA-N |