9-(3-methoxyphenyl)-6,6-dimethyl-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
9-(3-methoxyphenyl)-6,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-methoxyphenyl)-6,6-dimethyl-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: | 5225-5005 |
| Compound Name: | 9-(3-methoxyphenyl)-6,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C27 H30 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)OC)n3c(N2)nc(c2cc(c(c(c2)OC)OC)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.362 |
| logD: | 4.344 |
| logSw: | -4.5436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.866 |
| InChI Key: | QPKHQXJBJCYIBO-QHCPKHFHSA-N |