methyl 2-(3-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(3-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7779 |
| Compound Name: | methyl 2-(3-methylanilino)-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: | Cc1cccc(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5261 |
| logD: | 3.5185 |
| logSw: | -3.7973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | XMYQRFHFYUDWHZ-UHFFFAOYSA-N |