3-(4-ethylphenyl)-6-(4-methylphenyl)-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-(4-ethylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4080 |
| Compound Name: | 3-(4-ethylphenyl)-6-(4-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C27 H22 N4 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.7259 |
| logD: | 6.7259 |
| logSw: | -5.5861 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.336 |
| InChI Key: | KTYOUSXQPOCOCT-UHFFFAOYSA-N |