ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(cyanomethyl)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-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3228 |
| Compound Name: | ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(cyanomethyl)sulfanyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C24 H18 N4 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(Cc3ccc4c(c3)OCO4)C(=N2)SCC#N)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4444 |
| logD: | 4.4444 |
| logSw: | -4.3411 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 83.199 |
| InChI Key: | CXZNJPVQMUHLBN-UHFFFAOYSA-N |