N-{3-[benzyl(methyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-{3-[benzyl(methyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3469 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Smiles: | CN(CCCNC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1468 |
| logD: | 1.8476 |
| logSw: | -3.5842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.8 |
| InChI Key: | DJPRLBXYMGGWJK-UHFFFAOYSA-N |