2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | C909-0072 |
| Compound Name: | 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(C(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5561 |
| logD: | 2.0053 |
| logSw: | -3.2127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.991 |
| InChI Key: | RXYYKIUGTNFEGY-UHFFFAOYSA-N |