2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0253 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C26 H27 Cl F N5 O3 |
| Smiles: | CC(C)CN1C2=NN(Cc3ccc(cc3[Cl])F)C(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.016 |
| logD: | 5.016 |
| logSw: | -5.0404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.712 |
| InChI Key: | UPEWEESDUNPYPB-UHFFFAOYSA-N |