5-(3,4-dimethoxyphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(3,4-dimethoxyphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | 8014-9092 |
Compound Name: | 5-(3,4-dimethoxyphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 361.44 |
Molecular Formula: | C16 H15 N3 O3 S2 |
Smiles: | COc1ccc(cc1OC)C1NC(C2=C(N=1)N(CC=C)C(=S)S2)=O |
Stereo: | ACHIRAL |
logP: | 2.3419 |
logD: | 2.3418 |
logSw: | -3.0149 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.808 |
InChI Key: | GQSWWNSADHQLGZ-UHFFFAOYSA-N |