methyl 2-[3-(methoxycarbonyl)anilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(methoxycarbonyl)anilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-[3-(methoxycarbonyl)anilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7692 |
| Compound Name: | methyl 2-[3-(methoxycarbonyl)anilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C19 H14 N4 O5 S |
| Smiles: | COC(c1cccc(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4375 |
| logD: | 3.4238 |
| logSw: | -3.925 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.214 |
| InChI Key: | YAQDJAHSADTGJQ-UHFFFAOYSA-N |