N-(4-bromophenyl)-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-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0208 |
Compound Name: | N-(4-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 428.33 |
Molecular Formula: | C21 H22 Br N3 O2 |
Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)[Br])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0844 |
logD: | 4.0843 |
logSw: | -4.2149 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.71 |
InChI Key: | DEOADXXRTFIVNJ-IBGZPJMESA-N |