3-(2,4-dimethylphenyl)-6-(2-methylphenyl)-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-(2,4-dimethylphenyl)-6-(2-methylphenyl)-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-(2,4-dimethylphenyl)-6-(2-methylphenyl)-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: | K286-3269 |
| Compound Name: | 3-(2,4-dimethylphenyl)-6-(2-methylphenyl)-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: | 512.76 |
| Molecular Formula: | C20 H17 N3 O S3 |
| Salt: | (C2H5)3N |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(N2)=S)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1234 |
| logD: | 5.1232 |
| logSw: | -4.9593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8995 |
| InChI Key: | YRAIIKRORCTXRN-UHFFFAOYSA-N |