9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4820 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C25 H24 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)n3c(N2)nc(c2ccc(cc2)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8025 |
| logD: | 4.7845 |
| logSw: | -4.6854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.004 |
| InChI Key: | BPSJFLIOVYLCSM-QFIPXVFZSA-N |