9-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | 5225-4995 |
| Compound Name: | 9-(4-chlorophenyl)-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: | 494.98 |
| Molecular Formula: | C26 H27 Cl N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(c2cc(c(c(c2)OC)OC)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9365 |
| logD: | 4.9185 |
| logSw: | -5.1512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.323 |
| InChI Key: | WNWJHVNTNYRMQQ-QFIPXVFZSA-N |