3-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-[(furan-2-yl)methyl]-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: | K286-4322 |
| Compound Name: | 3-[(furan-2-yl)methyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C23 H16 N4 O4 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCc2ccc(cc2)[N+]([O-])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7654 |
| logD: | 4.7654 |
| logSw: | -4.7524 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 68.696 |
| InChI Key: | SGRYUHPMERGAIV-UHFFFAOYSA-N |