5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | F092-0177 |
Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 467.03 |
Molecular Formula: | C19 H19 Cl N4 O2 S3 |
Smiles: | C1CCCN(CC1)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6394 |
logD: | 3.6378 |
logSw: | -4.1451 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.02 |
InChI Key: | CURYKEWLDNNCEH-UHFFFAOYSA-N |