N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3483 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C27 H33 F N6 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCCN1CCN(CC1)c1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3322 |
| logD: | 2.8888 |
| logSw: | -3.7629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.949 |
| InChI Key: | NJNKNTRCYSEJHW-UHFFFAOYSA-N |