3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4196 |
| Compound Name: | 3-(2-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C25 H18 N4 O3 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCc2ccc(cc2)[N+]([O-])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.4644 |
| logD: | 5.4644 |
| logSw: | -5.4075 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.035 |
| InChI Key: | NKPPPMYEIDNOES-UHFFFAOYSA-N |