N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Compound characteristics
| Compound ID: | C200-8784 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C24 H17 N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1)NC1=NN2C(=Nc3ccccc3C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2847 |
| logD: | 2.9211 |
| logSw: | -3.8274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.396 |
| InChI Key: | ZMDCYOBCRNHTNK-UHFFFAOYSA-N |