N-(4-ethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-ethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0163 |
Compound Name: | N-(4-ethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 393.48 |
Molecular Formula: | C23 H27 N3 O3 |
Smiles: | CCOc1ccc(cc1)NC(c1ccc2C(N3CCCCCC3N(C)c2c1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6195 |
logD: | 3.6195 |
logSw: | -3.8865 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.834 |
InChI Key: | MADMDABDECSQNT-NRFANRHFSA-N |