2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0483 |
| Compound Name: | 2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C24 H20 N8 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(cc1)NC1=NN2C(=Nc3ccccc3C2=O)S1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5866 |
| logD: | 2.223 |
| logSw: | -3.4954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.138 |
| InChI Key: | DHEBMBQRRNWNNB-UHFFFAOYSA-N |