2-(4-bromoanilino)-7,8-dimethoxy-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(4-bromoanilino)-7,8-dimethoxy-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(4-bromoanilino)-7,8-dimethoxy-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0318 |
| Compound Name: | 2-(4-bromoanilino)-7,8-dimethoxy-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 433.28 |
| Molecular Formula: | C17 H13 Br N4 O3 S |
| Smiles: | COc1cc2C(N3C(=Nc2cc1OC)SC(Nc1ccc(cc1)[Br])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9636 |
| logD: | 3.7792 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.127 |
| InChI Key: | PKTRDDPGSQYGLS-UHFFFAOYSA-N |