2-({[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-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-({[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-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-({[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-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: | K286-3996 |
| Compound Name: | 2-({[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-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: | 586.71 |
| Molecular Formula: | C29 H22 N4 O4 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2348 |
| logD: | 5.2348 |
| logSw: | -5.0436 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 62.527 |
| InChI Key: | GBMVJBOAWHTDGD-UHFFFAOYSA-N |