N~1~-methyl-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]propanediamide
Chemical Structure Depiction of
N~1~-methyl-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]propanediamide
N~1~-methyl-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]propanediamide
Compound characteristics
| Compound ID: | C865-0095 |
| Compound Name: | N~1~-methyl-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N~1~-[3-(trifluoromethyl)phenyl]propanediamide |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C24 H23 F3 N4 O3 |
| Smiles: | CN(C(CC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.9691 |
| logD: | 2.9684 |
| logSw: | -3.6068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.711 |
| InChI Key: | HBVDTOBCSOFTKZ-UHFFFAOYSA-N |