9-(4-bromophenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-bromophenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6069-0548 |
| Compound Name: | 9-(4-bromophenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 449.35 |
| Molecular Formula: | C23 H21 Br N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Br])n3c(N2)nc(c2ccccc2)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5882 |
| logD: | 5.5702 |
| logSw: | -5.5891 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.345 |
| InChI Key: | IMDVVBCBLQUCTH-FQEVSTJZSA-N |