2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-dipropylacetamide
Chemical Structure Depiction of
2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-dipropylacetamide
2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-dipropylacetamide
Compound characteristics
Compound ID: | K286-3739 |
Compound Name: | 2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-dipropylacetamide |
Molecular Weight: | 538.75 |
Molecular Formula: | C27 H30 N4 O2 S3 |
Smiles: | CCCN(CCC)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(C)cc1C)=S)=O |
Stereo: | ACHIRAL |
logP: | 5.971 |
logD: | 5.971 |
logSw: | -5.4804 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 42.837 |
InChI Key: | ORWZWVMNMINAFT-UHFFFAOYSA-N |