3,6-bis(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3,6-bis(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3,6-bis(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019370 |
| Compound Name: | 3,6-bis(2,6-dimethylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 560.72 |
| Molecular Formula: | C28 H24 N4 O3 S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9445 |
| logD: | 6.9445 |
| logSw: | -5.6276 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 59.132 |
| InChI Key: | JEDJXDBWPGHHNG-UHFFFAOYSA-N |