5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | F092-0509 |
Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 446.61 |
Molecular Formula: | C20 H22 N4 O2 S3 |
Smiles: | Cc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(N2CCCCCC2)=O)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 3.4681 |
logD: | 3.4665 |
logSw: | -3.7016 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.02 |
InChI Key: | ZXJVKBOQEPMUJQ-UHFFFAOYSA-N |