6-benzyl-3-(2-methoxyphenyl)-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-benzyl-3-(2-methoxyphenyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-benzyl-3-(2-methoxyphenyl)-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: | A0018595 |
| Compound Name: | 6-benzyl-3-(2-methoxyphenyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C25 H20 N4 O2 S3 |
| Smiles: | COc1ccccc1N1C2=C(C(N(Cc3ccccc3)C(=N2)SCc2ccncc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.2106 |
| logD: | 4.2035 |
| logSw: | -4.193 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.324 |
| InChI Key: | SGGRIPDAVOXWMA-UHFFFAOYSA-N |