5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-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}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0041 |
| Compound Name: | 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3,6-bis(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 606.25 |
| Molecular Formula: | C30 H24 Cl N3 O S4 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCc1csc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.8029 |
| logD: | 8.8029 |
| logSw: | -6.4259 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.4976 |
| InChI Key: | BERBEPQHDWCICB-UHFFFAOYSA-N |