5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3580 |
| Compound Name: | 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 538.51 |
| Molecular Formula: | C21 H13 Cl2 N3 O2 S4 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCc2csc3ccc(cc23)[Cl])=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0698 |
| logD: | 6.0688 |
| logSw: | -6.1576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.372 |
| InChI Key: | NCYVKGGOGDLAFE-UHFFFAOYSA-N |