5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019204 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 552.14 |
| Molecular Formula: | C27 H22 Cl N3 O2 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.261 |
| logD: | 6.261 |
| logSw: | -6.018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.874 |
| InChI Key: | XRSOFFQWVZTYSB-UHFFFAOYSA-N |