2-(3-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(3-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0446 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C25 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cccc(c1C)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1098 |
| logD: | 5.7874 |
| logSw: | -6.0807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.26 |
| InChI Key: | JHEKVKPGEASEPJ-UHFFFAOYSA-N |