N-[3-(4-benzylpiperidin-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-benzylpiperidin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3511 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 503.71 |
| Molecular Formula: | C29 H37 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCCN1CCC(CC1)Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5891 |
| logD: | 2.7012 |
| logSw: | -4.2765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.417 |
| InChI Key: | GWHHFRPVMDSYAW-UHFFFAOYSA-N |