2-(3-chlorophenyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(3-chlorophenyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-5215 |
| Compound Name: | 2-(3-chlorophenyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C26 H27 Cl N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)OC)OC)OC)n3c(N2)nc(c2cccc(c2)[Cl])n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2502 |
| logD: | 5.2323 |
| logSw: | -5.8418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.323 |
| InChI Key: | AQCNAOCTSCZTLO-QFIPXVFZSA-N |