N-[(3,4-dimethoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
N-[(3,4-dimethoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Compound characteristics
| Compound ID: | F127-0538 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | COc1ccc(CNC(c2cccc(c2)NC2=NN3C(=Nc4ccccc4C3=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2873 |
| logD: | 3.2785 |
| logSw: | -3.8047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.541 |
| InChI Key: | ZAWRCGAFOSQEJI-UHFFFAOYSA-N |