6-benzyl-3-(2-methoxyphenyl)-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-benzyl-3-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-benzyl-3-(2-methoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018575 |
| Compound Name: | 6-benzyl-3-(2-methoxyphenyl)-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: | COc1ccccc1N1C2=C(C(N(Cc3ccccc3)C(=N2)SCc2cccc(c2)[N+]([O-])=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.7069 |
| logD: | 5.7069 |
| logSw: | -5.3605 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 68.277 |
| InChI Key: | RGNXAHNAWREFMS-UHFFFAOYSA-N |