ethyl 2-{[3-(2-methoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 2-{[3-(2-methoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 2-{[3-(2-methoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-0010 |
| Compound Name: | ethyl 2-{[3-(2-methoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C24 H21 N3 O5 S3 |
| Smiles: | CCOC(C(C(C)=O)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccccc1OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9485 |
| logD: | 3.9485 |
| logSw: | -4.0645 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 69.136 |
| InChI Key: | RVUGELFBMZSJHX-SFHVURJKSA-N |