6-(3-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6-(3-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6-(3-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6386 |
| Compound Name: | 6-(3-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2cccc(c2)[Cl])Nc2ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0576 |
| logD: | 3.5636 |
| logSw: | -4.5551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.546 |
| InChI Key: | HHJVYXMYVBKPFU-UHFFFAOYSA-N |