2-(2-methoxyanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2-methoxyanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(2-methoxyanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0198 |
| Compound Name: | 2-(2-methoxyanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N4C(=Nc3c2)SC(Nc2ccccc2OC)=N4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1574 |
| logD: | 4.0612 |
| logSw: | -4.2674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.213 |
| InChI Key: | NWSUFKITSRUXOB-UHFFFAOYSA-N |