N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
Compound characteristics
| Compound ID: | C200-8783 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc(cc2)NC2=NN3C(=Nc4ccccc4C3=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8222 |
| logD: | 2.4586 |
| logSw: | -3.7189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.382 |
| InChI Key: | MGWSWAHRXCQRNJ-UHFFFAOYSA-N |