2-(2-methylanilino)-5-oxo-N-[4-(propan-2-yl)phenyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2-methylanilino)-5-oxo-N-[4-(propan-2-yl)phenyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(2-methylanilino)-5-oxo-N-[4-(propan-2-yl)phenyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0065 |
| Compound Name: | 2-(2-methylanilino)-5-oxo-N-[4-(propan-2-yl)phenyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1C)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4481 |
| logD: | 5.4405 |
| logSw: | -5.4766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.26 |
| InChI Key: | VPRBLECDHBFZMA-UHFFFAOYSA-N |