12-oxo-N-(3,4,5-trimethoxyphenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-(3,4,5-trimethoxyphenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-(3,4,5-trimethoxyphenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3385 |
| Compound Name: | 12-oxo-N-(3,4,5-trimethoxyphenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1624 |
| logD: | 2.1393 |
| logSw: | -3.1567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.789 |
| InChI Key: | QYQYXLWFRIPKSI-UHFFFAOYSA-N |