N-ethyl-N-(4-fluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-ethyl-N-(4-fluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-ethyl-N-(4-fluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0483 |
| Compound Name: | N-ethyl-N-(4-fluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C22 H22 F N3 O2 |
| Smiles: | CCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.11 |
| logD: | 3.11 |
| logSw: | -3.3735 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.067 |
| InChI Key: | XBPKHYZLAIOQMD-UHFFFAOYSA-N |