9-(4-bromophenyl)-6,6-dimethyl-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-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3051 |
| Compound Name: | 9-(4-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 373.25 |
| Molecular Formula: | C17 H17 Br N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Br])n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5953 |
| logD: | 3.2227 |
| logSw: | -3.6307 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.557 |
| InChI Key: | XOUNBXYBUMMNBR-HNNXBMFYSA-N |