3,6-bis(2,6-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
3,6-bis(2,6-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)
3,6-bis(2,6-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: | A0062782 |
| Compound Name: | 3,6-bis(2,6-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: | 526.78 |
| Molecular Formula: | C21 H19 N3 O S3 |
| Salt: | (C2H5)3N |
| Smiles: | Cc1cccc(C)c1N1C(C2=C(NC1=S)N(C(=S)S2)c1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1247 |
| logD: | 5.1222 |
| logSw: | -5.0042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2977 |
| InChI Key: | IXXJINRBYFDWOY-UHFFFAOYSA-N |