2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | F092-0168 |
Compound Name: | 2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
Molecular Weight: | 491.01 |
Molecular Formula: | C20 H15 Cl N4 O3 S3 |
Smiles: | COc1ccccc1NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6337 |
logD: | 3.6321 |
logSw: | -4.1554 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.378 |
InChI Key: | SCGOZFUIHYCDPE-UHFFFAOYSA-N |