8-amino-5-(3-bromophenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
8-amino-5-(3-bromophenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
8-amino-5-(3-bromophenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
Compound ID: | 8017-9122 |
Compound Name: | 8-amino-5-(3-bromophenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
Molecular Weight: | 532.46 |
Molecular Formula: | C26 H22 Br N5 O S |
Smiles: | C1CC2=C(C(C(C#N)=C3N=C(c4c5C6CCN(CC6)c5sc4N23)N)c2cccc(c2)[Br])C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.039 |
logD: | -4.0037 |
logSw: | -4.3635 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.277 |
InChI Key: | CNHNLVCUAKLTHN-LJQANCHMSA-N |