3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019203 |
| Compound Name: | 3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 538.11 |
| Molecular Formula: | C26 H20 Cl N3 O2 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2Cc1ccccc1)=S)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1619 |
| logD: | 6.1619 |
| logSw: | -6.0481 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.896 |
| InChI Key: | SPEUFABJVQEARV-UHFFFAOYSA-N |