ethyl 4-[7-oxo-6-phenyl-2,5-bis(sulfanylidene)-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
ethyl 4-[7-oxo-6-phenyl-2,5-bis(sulfanylidene)-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
ethyl 4-[7-oxo-6-phenyl-2,5-bis(sulfanylidene)-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | K286-0197 |
| Compound Name: | ethyl 4-[7-oxo-6-phenyl-2,5-bis(sulfanylidene)-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 542.74 |
| Molecular Formula: | C20 H15 N3 O3 S3 |
| Salt: | (C2H5)3N |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(C(N2)=S)c2ccccc2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0318 |
| logD: | 4.0318 |
| logSw: | -4.0837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.255 |
| InChI Key: | GKOQBXXXKBXJSC-UHFFFAOYSA-N |