N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0447 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C23 H15 Cl F N5 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1ccc2C(Nc3c(c4ccc(cc4)F)nnn3c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6091 |
| logD: | 3.609 |
| logSw: | -4.2113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.644 |
| InChI Key: | XOYWGQLSQYLRLS-UHFFFAOYSA-N |