2-(2-methylanilino)-8-(4-phenylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(2-methylanilino)-8-(4-phenylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(2-methylanilino)-8-(4-phenylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | E796-0075 |
| Compound Name: | 2-(2-methylanilino)-8-(4-phenylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C27 H24 N6 O2 S |
| Smiles: | Cc1ccccc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(N2CCN(CC2)c2ccccc2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7422 |
| logD: | 3.7346 |
| logSw: | -3.9224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.077 |
| InChI Key: | KNKFQRJZBITUDG-UHFFFAOYSA-N |