N-(2,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3381 |
| Compound Name: | N-(2,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 369.37 |
| Molecular Formula: | C20 H17 F2 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.896 |
| logD: | 2.5204 |
| logSw: | -3.5914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.113 |
| InChI Key: | IXTJZQLIMKQMAI-UHFFFAOYSA-N |