[1,5-dioxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
Chemical Structure Depiction of
[1,5-dioxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
[1,5-dioxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
Compound characteristics
| Compound ID: | F366-0094 |
| Compound Name: | [1,5-dioxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | CC(C)OCCCN1C2=NN(CC#N)C(N2c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1159 |
| logD: | 1.1159 |
| logSw: | -2.3139 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.128 |
| InChI Key: | CEJJODVNXBHBQP-UHFFFAOYSA-N |