ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3229 |
| Compound Name: | ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C26 H23 N3 O7 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1Cc1ccc3c(c1)OCO3)=O)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.067 |
| logD: | 5.067 |
| logSw: | -4.6793 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 85.865 |
| InChI Key: | NQURXMQBQQYFQI-UHFFFAOYSA-N |