N-(2H-1,3-benzodioxol-5-yl)-2-(7-chloro-1,5-dioxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(7-chloro-1,5-dioxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(7-chloro-1,5-dioxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | F365-0407 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(7-chloro-1,5-dioxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl)acetamide |
| Molecular Weight: | 455.86 |
| Molecular Formula: | C21 H18 Cl N5 O5 |
| Smiles: | CCCN1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2c2ccc(cc2C1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5358 |
| logD: | 3.5358 |
| logSw: | -3.9168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.45 |
| InChI Key: | OXHQMTWDNQZJOM-UHFFFAOYSA-N |