ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-3603 |
| Compound Name: | ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C19 H19 N3 O4 S3 |
| Smiles: | CCOC(CC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(C)c(C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2168 |
| logD: | 3.2151 |
| logSw: | -3.232 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.482 |
| InChI Key: | HWVNROCGWHZWDV-UHFFFAOYSA-N |