3-(4-ethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3479 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C21 H19 N3 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCc2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4028 |
| logD: | 4.4018 |
| logSw: | -4.1394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.42 |
| InChI Key: | JGHQWZSYBDNIAH-UHFFFAOYSA-N |