2-[3-(4-phenylpiperazine-1-carbonyl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-[3-(4-phenylpiperazine-1-carbonyl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-[3-(4-phenylpiperazine-1-carbonyl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
Compound ID: | F127-0587 |
Compound Name: | 2-[3-(4-phenylpiperazine-1-carbonyl)anilino]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
Molecular Weight: | 482.56 |
Molecular Formula: | C26 H22 N6 O2 S |
Smiles: | C1CN(CCN1C(c1cccc(c1)NC1=NN2C(=Nc3ccccc3C2=O)S1)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.6387 |
logD: | 3.6368 |
logSw: | -4.0458 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.775 |
InChI Key: | JWBFDWWDXVHPQS-UHFFFAOYSA-N |