N-[(3-methoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
N-[(3-methoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Compound characteristics
| Compound ID: | F127-0533 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C24 H19 N5 O3 S |
| Smiles: | COc1cccc(CNC(c2cccc(c2)NC2=NN3C(=Nc4ccccc4C3=O)S2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7697 |
| logD: | 3.7608 |
| logSw: | -4.0874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.824 |
| InChI Key: | IACNQWJIGUSGMC-UHFFFAOYSA-N |