5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018474 |
| Compound Name: | 5-{[(3-nitrophenyl)methyl]sulfanyl}-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C26 H20 N4 O3 S3 |
| Smiles: | C(CN1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccccc2)=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8251 |
| logD: | 5.8251 |
| logSw: | -5.8627 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.926 |
| InChI Key: | UDASPSWSODZAGF-UHFFFAOYSA-N |