N-[(4-chlorophenyl)methyl]-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0293 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(2,5-dimethylanilino)-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(C)c(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCc2ccc(cc2)[Cl])=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6169 |
| logD: | 4.6066 |
| logSw: | -4.7342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.582 |
| InChI Key: | DHURMTMSFHRRJA-UHFFFAOYSA-N |