6,6-dimethyl-9-(naphthalen-1-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-(naphthalen-1-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(naphthalen-1-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6936 |
| Compound Name: | 6,6-dimethyl-9-(naphthalen-1-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C21 H20 N4 O |
| Smiles: | CC1(C)CC2=C(C(c3cccc4ccccc34)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9476 |
| logD: | 3.598 |
| logSw: | -3.9574 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.285 |
| InChI Key: | DPYHNUHLPHBZMF-IBGZPJMESA-N |