6,6-dimethyl-9-phenyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-phenyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-phenyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4985 |
| Compound Name: | 6,6-dimethyl-9-phenyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)n3c(N2)nc(c2cc(c(c(c2)OC)OC)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.346 |
| logD: | 4.3281 |
| logSw: | -4.4482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.323 |
| InChI Key: | WCLCHRNQELXJRF-QFIPXVFZSA-N |