methyl 2-[2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K286-4326 |
| Compound Name: | methyl 2-[2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C26 H20 N4 O5 S3 |
| Smiles: | COC(c1ccccc1NC(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2Cc1ccco1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2398 |
| logD: | 4.233 |
| logSw: | -4.3619 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.94 |
| InChI Key: | NVYKHIHQJGUADE-UHFFFAOYSA-N |