2-({[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K286-3916 |
| Compound Name: | 2-({[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 621.16 |
| Molecular Formula: | C29 H21 Cl N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(c(C)c1)[Cl])=S)SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5451 |
| logD: | 6.5451 |
| logSw: | -6.1305 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 61.731 |
| InChI Key: | LWISTYRLFPEHTK-UHFFFAOYSA-N |