3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | K286-3256 |
| Compound Name: | 3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 516.72 |
| Molecular Formula: | C19 H14 F N3 O S3 |
| Salt: | (C2H5)3N |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(N2)=S)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.735 |
| logD: | 4.735 |
| logSw: | -4.531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.2005 |
| InChI Key: | MJORGLCNVCFDQZ-UHFFFAOYSA-N |