N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluorophenyl)-1-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluorophenyl)-1-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluorophenyl)-1-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-8685 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluorophenyl)-1-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 471.45 |
| Molecular Formula: | C25 H18 F N5 O4 |
| Smiles: | Cc1nnc2N(C(c3ccc(cc3n12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.1885 |
| logD: | 2.1885 |
| logSw: | -2.9871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.696 |
| InChI Key: | ABXXFWFXEXKYRP-UHFFFAOYSA-N |