2-(5-chloro-2-methylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(5-chloro-2-methylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(5-chloro-2-methylanilino)-N-[(4-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0422 |
| Compound Name: | 2-(5-chloro-2-methylanilino)-N-[(4-methylphenyl)methyl]-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(CNC(c2ccc3C(N4C(=Nc3c2)SC(Nc2cc(ccc2C)[Cl])=N4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8615 |
| logD: | 4.5391 |
| logSw: | -4.8084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.582 |
| InChI Key: | VKNBIHKYBFBVIY-UHFFFAOYSA-N |