8-chloro-2-(4-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
8-chloro-2-(4-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
8-chloro-2-(4-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0244 |
| Compound Name: | 8-chloro-2-(4-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 358.8 |
| Molecular Formula: | C16 H11 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)NC1=NN2C(=Nc3cc(ccc3C2=O)[Cl])S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6663 |
| logD: | 3.6575 |
| logSw: | -4.1939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.41 |
| InChI Key: | VNCWLEBMNRECLI-UHFFFAOYSA-N |