ethyl 3-oxo-2-[(7-oxo-3,6-diphenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 3-oxo-2-[(7-oxo-3,6-diphenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate
ethyl 3-oxo-2-[(7-oxo-3,6-diphenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | K286-0067 |
| Compound Name: | ethyl 3-oxo-2-[(7-oxo-3,6-diphenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C23 H19 N3 O4 S3 |
| Smiles: | CCOC(C(C(C)=O)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9676 |
| logD: | 3.9676 |
| logSw: | -4.0083 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 61.806 |
| InChI Key: | SQOBFFCVZXSYLP-KRWDZBQOSA-N |