5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-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}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3646 |
| Compound Name: | 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-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(N2CCc1ccccc1)=S)SCc1csc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.5913 |
| logD: | 8.5913 |
| logSw: | -6.256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.6893 |
| InChI Key: | RISYZRNGZUCUMH-UHFFFAOYSA-N |