methyl 2-{[(furan-2-yl)methyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-{[(furan-2-yl)methyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-{[(furan-2-yl)methyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7691 |
| Compound Name: | methyl 2-{[(furan-2-yl)methyl]amino}-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 356.36 |
| Molecular Formula: | C16 H12 N4 O4 S |
| Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(NCc1ccco1)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4166 |
| logD: | 2.3822 |
| logSw: | -2.9638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.112 |
| InChI Key: | IXKKSHRMFYKPCO-UHFFFAOYSA-N |