12-oxo-N-{3-[(propan-2-yl)oxy]propyl}-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-{3-[(propan-2-yl)oxy]propyl}-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-{3-[(propan-2-yl)oxy]propyl}-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0489 |
| Compound Name: | 12-oxo-N-{3-[(propan-2-yl)oxy]propyl}-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CC(C)OCCCNC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6141 |
| logD: | 1.6141 |
| logSw: | -2.5148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.447 |
| InChI Key: | MDKPHLXLJVPDQV-UHFFFAOYSA-N |