6-(2-methoxyphenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019194 |
| Compound Name: | 6-(2-methoxyphenyl)-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 518.68 |
| Molecular Formula: | C26 H22 N4 O2 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3097 |
| logD: | 4.3026 |
| logSw: | -4.1681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.302 |
| InChI Key: | RMSDIRCTDLEKAC-UHFFFAOYSA-N |