ethyl 4-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
ethyl 4-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-3334 |
| Compound Name: | ethyl 4-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate |
| Molecular Weight: | 588.77 |
| Molecular Formula: | C27 H32 N4 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(CC3CCCO3)C(=N2)SCC(NC2CCCCC2)=O)=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3234 |
| logD: | 4.3234 |
| logSw: | -4.0456 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.171 |
| InChI Key: | JFIVKMFSQGZETL-HXUWFJFHSA-N |