6-(2,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-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
6-(2,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
6-(2,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-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: | K286-3727 |
| Compound Name: | 6-(2,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-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: | 558.78 |
| Molecular Formula: | C21 H19 N3 O3 S3 |
| Salt: | (C2H5)3N |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(N2)=S)c2cc(ccc2OC)OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8771 |
| logD: | 4.8771 |
| logSw: | -4.6691 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.375 |
| InChI Key: | QYOAZGDCYJJRDH-UHFFFAOYSA-N |