methyl 2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7700 |
| Compound Name: | methyl 2-(5-chloro-2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C18 H13 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)S1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9117 |
| logD: | 3.5893 |
| logSw: | -4.4198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.343 |
| InChI Key: | IEZVRZSCQOPXQB-UHFFFAOYSA-N |