N~1~-(4-fluorophenyl)-N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(4-fluorophenyl)-N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(4-fluorophenyl)-N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0219 |
| Compound Name: | N~1~-(4-fluorophenyl)-N~1~-methyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C22 H21 F N4 O3 |
| Smiles: | CN(C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.1743 |
| logD: | 2.1413 |
| logSw: | -3.115 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.452 |
| InChI Key: | ZUBRYRAUCLYNSU-UHFFFAOYSA-N |