(4-benzyl-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetonitrile
Chemical Structure Depiction of
(4-benzyl-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetonitrile
(4-benzyl-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetonitrile
Compound characteristics
| Compound ID: | F366-0125 |
| Compound Name: | (4-benzyl-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetonitrile |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C18 H13 N5 O2 |
| Smiles: | C(C#N)N1C(N2C(=N1)N(Cc1ccccc1)C(c1ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0497 |
| logD: | 2.0497 |
| logSw: | -2.916 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.677 |
| InChI Key: | SZUAKPCNNLGCQB-UHFFFAOYSA-N |