9-(3-bromophenyl)-6-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromophenyl)-6-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromophenyl)-6-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6506 |
| Compound Name: | 9-(3-bromophenyl)-6-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 481.35 |
| Molecular Formula: | C23 H21 Br N4 O3 |
| Smiles: | COc1ccc(C2CC3=C(C(c4cccc(c4)[Br])n4c(N3)ncn4)C(C2)=O)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9126 |
| logD: | 4.4185 |
| logSw: | -4.6755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.46 |
| InChI Key: | NQQBLCCDGKQWRU-UHFFFAOYSA-N |