2-(benzylamino)-7-bromo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(benzylamino)-7-bromo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(benzylamino)-7-bromo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0091 |
| Compound Name: | 2-(benzylamino)-7-bromo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 387.26 |
| Molecular Formula: | C16 H11 Br N4 O S |
| Smiles: | C(c1ccccc1)NC1=NN2C(=Nc3ccc(cc3C2=O)[Br])S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4788 |
| logD: | 3.4694 |
| logSw: | -3.8268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.189 |
| InChI Key: | HAOQNCPLKUIYBK-UHFFFAOYSA-N |