7-bromo-2-(2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
7-bromo-2-(2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
7-bromo-2-(2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0093 |
| Compound Name: | 7-bromo-2-(2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 403.25 |
| Molecular Formula: | C16 H11 Br N4 O2 S |
| Smiles: | COc1ccccc1NC1=NN2C(=Nc3ccc(cc3C2=O)[Br])S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0204 |
| logD: | 3.9267 |
| logSw: | -4.1828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.799 |
| InChI Key: | FNVILMXIOIESJT-UHFFFAOYSA-N |