methyl 2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7697 |
| Compound Name: | methyl 2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C18 H14 N4 O3 S |
| Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(NCc1ccccc1)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.666 |
| logD: | 2.6472 |
| logSw: | -3.3136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.363 |
| InChI Key: | PNJBGJXGUPNBMY-UHFFFAOYSA-N |