2-(2-methoxyanilino)-8-(4-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(2-methoxyanilino)-8-(4-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(2-methoxyanilino)-8-(4-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | E796-0219 |
| Compound Name: | 2-(2-methoxyanilino)-8-(4-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CC1CCN(CC1)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1OC)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3955 |
| logD: | 3.2992 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.448 |
| InChI Key: | YVSWJHJZZFJRLX-UHFFFAOYSA-N |