2-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0179 |
| Compound Name: | 2-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C25 H25 F2 N5 O4 |
| Smiles: | CC(C)CN1C2=NN(CC(c3ccc(cc3F)F)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3163 |
| logD: | 3.3163 |
| logSw: | -3.8105 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.113 |
| InChI Key: | KXLUNBJLRIWXGC-UHFFFAOYSA-N |