2-(4-nitrobenzoyl)-5H-[1,3,4]thiadiazolo[3,2-a]quinazolin-5-one
Chemical Structure Depiction of
2-(4-nitrobenzoyl)-5H-[1,3,4]thiadiazolo[3,2-a]quinazolin-5-one
2-(4-nitrobenzoyl)-5H-[1,3,4]thiadiazolo[3,2-a]quinazolin-5-one
Compound characteristics
| Compound ID: | 5728-0512 |
| Compound Name: | 2-(4-nitrobenzoyl)-5H-[1,3,4]thiadiazolo[3,2-a]quinazolin-5-one |
| Molecular Weight: | 352.33 |
| Molecular Formula: | C16 H8 N4 O4 S |
| Smiles: | c1ccc2c(c1)C(N=C1N2N=C(C(c2ccc(cc2)[N+]([O-])=O)=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.483 |
| logD: | 2.483 |
| logSw: | -2.8984 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.388 |
| InChI Key: | LDDAGWYZNXHRIJ-UHFFFAOYSA-N |