2-(5-chloro-2-methylanilino)-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(5-chloro-2-methylanilino)-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(5-chloro-2-methylanilino)-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0391 |
| Compound Name: | 2-(5-chloro-2-methylanilino)-N-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C23 H15 Cl F N5 O2 S |
| Smiles: | Cc1ccc(cc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(Nc2ccc(cc2)F)=O)S1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8013 |
| logD: | 4.4789 |
| logSw: | -4.8703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.26 |
| InChI Key: | DVOUBGKNMKMQGU-UHFFFAOYSA-N |