{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
Chemical Structure Depiction of
{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
Compound characteristics
| Compound ID: | F366-0186 |
| Compound Name: | {4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C19 H15 N5 O2 |
| Smiles: | Cc1ccc(CN2C3=NN(CC#N)C(N3c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4731 |
| logD: | 2.4731 |
| logSw: | -2.7989 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.677 |
| InChI Key: | CXTXBEALOFQYFQ-UHFFFAOYSA-N |