3-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | K286-3975 |
| Compound Name: | 3-(4-ethoxyphenyl)-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: | 562.69 |
| Molecular Formula: | C27 H22 N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1642 |
| logD: | 6.1642 |
| logSw: | -5.4147 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 67.46 |
| InChI Key: | IXGVREALCLFTDP-UHFFFAOYSA-N |