N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3459 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 511.09 |
| Molecular Formula: | C26 H31 Cl N6 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCN1CCN(CC1)c1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 3.642 |
| logD: | 2.5682 |
| logSw: | -4.1062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.949 |
| InChI Key: | AAAHZHONEYIDMK-UHFFFAOYSA-N |