8-chloro-2-(3,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
8-chloro-2-(3,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
8-chloro-2-(3,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0237 |
| Compound Name: | 8-chloro-2-(3,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 356.83 |
| Molecular Formula: | C17 H13 Cl N4 O S |
| Smiles: | Cc1cc(C)cc(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)[Cl])S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3769 |
| logD: | 4.3518 |
| logSw: | -4.5486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.867 |
| InChI Key: | KZGOTGYTRCBKOF-UHFFFAOYSA-N |