N-butyl-2-(2,5-dimethylanilino)-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-butyl-2-(2,5-dimethylanilino)-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-butyl-2-(2,5-dimethylanilino)-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0329 |
| Compound Name: | N-butyl-2-(2,5-dimethylanilino)-N-methyl-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCCCN(C)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1cc(C)ccc1C)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4958 |
| logD: | 3.4855 |
| logSw: | -3.7719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.569 |
| InChI Key: | VTDUPDFFPHAYEO-UHFFFAOYSA-N |