7-bromo-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
7-bromo-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
7-bromo-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0115 |
| Compound Name: | 7-bromo-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C17 H13 Br N4 O S |
| Smiles: | Cc1ccc(C)c(c1)NC1=NN2C(=Nc3ccc(cc3C2=O)[Br])S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3085 |
| logD: | 4.3015 |
| logSw: | -4.291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.169 |
| InChI Key: | ZGIMIZLCGBPXST-UHFFFAOYSA-N |