ethyl 4-[3-(3-methoxyphenyl)-7-oxo-2,5-bis(sulfanylidene)-3,4,5,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(3-methoxyphenyl)-7-oxo-2,5-bis(sulfanylidene)-3,4,5,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
ethyl 4-[3-(3-methoxyphenyl)-7-oxo-2,5-bis(sulfanylidene)-3,4,5,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | K286-3723 |
| Compound Name: | ethyl 4-[3-(3-methoxyphenyl)-7-oxo-2,5-bis(sulfanylidene)-3,4,5,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 572.77 |
| Molecular Formula: | C21 H17 N3 O4 S3 |
| Salt: | (C2H5)3N |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2=C(NC1=S)N(C(=S)S2)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3173 |
| logD: | 4.3173 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.799 |
| InChI Key: | OPFQJFFYDWQHLM-UHFFFAOYSA-N |