3-(4-ethoxyphenyl)-5-{[(3-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-(4-ethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3801 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-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: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6193 |
| logD: | 5.6193 |
| logSw: | -5.4114 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 67.46 |
| InChI Key: | RVAQHSCMYHRDPQ-UHFFFAOYSA-N |