2-(3,5-dimethoxyphenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(3,5-dimethoxyphenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4025 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | COc1cc(cc(c1)OC)c1nc2NC3CCCC(C=3C(c3ccccc3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2252 |
| logD: | 4.2178 |
| logSw: | -4.4015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.432 |
| InChI Key: | SSXKQYKOEFJAND-NRFANRHFSA-N |