2-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0308 |
| Compound Name: | 2-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N4C(=Nc3c2)SC(Nc2cc(C)ccc2C)=N4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4455 |
| logD: | 4.4352 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.582 |
| InChI Key: | VIGZFFFKBQGDLA-UHFFFAOYSA-N |