9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3192 |
| Compound Name: | 9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 375.22 |
| Molecular Formula: | C16 H15 Br N4 O2 |
| Smiles: | COc1ccc(cc1[Br])C1C2=C(CCCC2=O)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5749 |
| logD: | 2.3841 |
| logSw: | -3.0816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.188 |
| InChI Key: | AGZUDRGLRSXEMA-HNNXBMFYSA-N |