3,6-dibenzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3,6-dibenzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3,6-dibenzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018603 |
| Compound Name: | 3,6-dibenzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 522.11 |
| Molecular Formula: | C26 H20 Cl N3 O S3 |
| Smiles: | C(c1ccccc1)N1C(=NC2=C(C1=O)SC(N2Cc1ccccc1)=S)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7782 |
| logD: | 6.7782 |
| logSw: | -6.3844 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 28.1775 |
| InChI Key: | QLQDSKGHYZWXRC-UHFFFAOYSA-N |