5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | F092-0680 |
Compound Name: | 5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 427.56 |
Molecular Formula: | C20 H17 N3 O2 S3 |
Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCc2cccc(c2)OC)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 4.3715 |
logD: | 4.3705 |
logSw: | -4.3496 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.539 |
InChI Key: | LAIAXAVLMDHJNM-UHFFFAOYSA-N |