methyl 5-oxo-2-[4-(propan-2-yl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 5-oxo-2-[4-(propan-2-yl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 5-oxo-2-[4-(propan-2-yl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7693 |
| Compound Name: | methyl 5-oxo-2-[4-(propan-2-yl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5043 |
| logD: | 4.4984 |
| logSw: | -4.3615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | UPPBBZYRKKOECH-UHFFFAOYSA-N |