N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0071 |
| Compound Name: | N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1ccccc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(N(C)Cc2ccccc2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.915 |
| logD: | 3.9074 |
| logSw: | -4.0151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.319 |
| InChI Key: | DKBMLVJRFBGLSX-UHFFFAOYSA-N |