9-(3-bromophenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromophenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromophenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6069-0511 |
| Compound Name: | 9-(3-bromophenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C21 H17 Br N4 O |
| Smiles: | C1CC2=C(C(c3cccc(c3)[Br])n3c(N2)nc(c2ccccc2)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.995 |
| logD: | 4.9876 |
| logSw: | -4.9686 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.345 |
| InChI Key: | XPCWGLJGWYETHV-IBGZPJMESA-N |